BICT94 -OEChem-04022105202D 54 56 0 0 0 0 0 0 0999 V2000 4.7984 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 6.1125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 8.7248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 3.3132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 5.1180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 3.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 5.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4076 7.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7648 6.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 6.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0755 7.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4291 7.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 4.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 4.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0592 4.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 3.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6968 8.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 5.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 3.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0074 9.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 4.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 3.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 4.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1993 5.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 4.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 5.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 6.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2004 5.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9936 8.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7854 5.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3786 5.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 6.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 6.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6224 6.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4580 7.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4085 8.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8153 7.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 9.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 4.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7174 8.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3106 8.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 2.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 5.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5968 9.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2001 10.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4181 10.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 4.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 6.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 54 1 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 42 1 0 0 0 0 5 21 1 0 0 0 0 5 23 2 0 0 0 0 6 23 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 19 22 2 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$