Marvin 08210915132D 12 12 0 0 0 0 999 V2000 -0.9063 3.3063 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 0.8312 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 0.0062 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 0.8312 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 2.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 2.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 3 8 1 0 0 0 0 7 9 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 3 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 2 11 1 0 0 0 0 5 12 1 0 0 0 0 M RGP 3 8 1 9 2 10 1 M END > 0;0;0;0;0;0;0;1;2;1;0;0 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 M RGP 1 1 1 M END > 1 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 M RGP 1 1 2 M END > 2 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 0.0000 0.0000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 M RGP 1 1 1 M END > 1 $$$$ Marvin 08210915132D 16 16 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 11 1 0 0 0 0 11 16 1 0 0 0 0 11 13 1 0 0 0 0 8 15 1 0 0 0 0 4 12 1 0 0 0 0 13 14 1 0 0 0 0 M END > id1 > 0;0;0;0;0;0;0;1;1;1;1;2;1;1;1;1 $$$$ Marvin 08210915132D 4 3 0 0 0 0 999 V2000 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 M APO 1 1 1 M END > 1;1;1;1 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 -0.4062 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END > 2 $$$$ Marvin 08210915132D 4 3 0 0 0 0 999 V2000 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M APO 1 1 1 M END > 1;1;1;1 $$$$ Marvin 08210915132D 14 16 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 11 3 2 0 0 0 0 1 4 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 12 1 0 0 0 0 13 14 1 0 0 0 0 M END > id2 > 0;0;0;0;0;1;1;1;1;0;0;1;1;1 $$$$ Marvin 08210915132D 7 6 0 0 0 0 999 V2000 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 7 5 1 0 0 0 0 6 7 1 0 0 0 0 M APO 3 1 1 4 1 5 1 M END > 1;1;1;1;1;1;1 $$$$ Marvin 08210915132D 7 6 0 0 0 0 999 V2000 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 7 5 1 0 0 0 0 6 7 1 0 0 0 0 M APO 3 1 1 4 1 5 1 M END > 1;1;1;1;1;1;1 $$$$ Marvin 08210915132D 7 6 0 0 0 0 999 V2000 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 7 5 1 0 0 0 0 6 7 1 0 0 0 0 M APO 3 1 1 4 1 5 1 M END > 1;1;1;1;1;1;1 $$$$ Marvin 08210915132D 29 31 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 7 3 2 0 0 0 0 1 4 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 10 13 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 15 12 1 0 0 0 0 15 14 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 22 19 2 0 0 0 0 19 23 1 0 0 0 0 24 20 1 0 0 0 0 24 23 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 13 27 1 0 0 0 0 10 29 1 0 0 0 0 22 28 1 0 0 0 0 M END > id3 > 1;1;1;1;1;1;1;1;1;0;0;0;0;0;0;0;1;1;1;1;1;1;1;1;1;1;1;1;2 $$$$ Marvin 08210915132D 20 21 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 7 3 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 15 12 2 0 0 0 0 12 16 1 0 0 0 0 17 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 17 16 2 0 0 0 0 17 18 1 0 0 0 0 M APO 1 8 1 M END > 1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 2.4516 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END > 2 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 3.8806 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END > 1 $$$$ Marvin 08210915132D 29 31 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 7 3 2 0 0 0 0 1 4 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 10 13 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 15 12 1 0 0 0 0 15 14 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 22 19 2 0 0 0 0 19 23 1 0 0 0 0 24 20 1 0 0 0 0 24 23 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 13 27 1 0 0 0 0 10 29 1 0 0 0 0 22 28 1 0 0 0 0 M END > id3 > 1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;0;0;0;0;0;0;0;1;1;2;1 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 -4.6931 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END > 1 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 -3.2641 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END > 2 $$$$ Marvin 08210915132D 20 21 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 7 3 2 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 10 13 2 0 0 0 0 11 10 1 0 0 0 0 10 20 1 0 0 0 0 12 11 2 0 0 0 0 15 12 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 15 14 2 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 M APO 1 17 1 M END > 1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1;1 $$$$ Marvin 08210915132D 20 21 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 7 3 2 0 0 0 0 1 4 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 14 11 2 0 0 0 0 11 15 1 0 0 0 0 16 12 1 0 0 0 0 16 15 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 16 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 M END > id4 > 1;1;1;1;1;1;1;1;1;1;0;0;0;0;0;0;0;1;2;1 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 -4.6931 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END > 1 $$$$ Marvin 08210915132D 1 0 0 0 0 0 999 V2000 -3.2641 -1.5875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 M APO 1 1 1 M END > 2 $$$$ Marvin 08210915132D 11 11 0 0 0 0 999 V2000 -0.4062 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 7 3 2 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 M APO 1 9 1 M END > 1;1;1;1;1;1;1;1;1;1;1 $$$$