NCI:118193 BBtclserve11129917322D 0 0.00000 0.00000 90039 999-99-9 42 46 0 0 0 0 0 0 0 0 2 V2000 2.0000 4.3869 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 4.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 5.5459 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 3.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 2.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 4.0596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 3.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 1.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 2.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2727 3.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 1.0870 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 0.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 0.3439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2583 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2364 1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9055 0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5965 0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6184 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8837 1.1755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 0.4324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5310 0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8181 1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4873 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1782 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2001 -0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4873 1.0561 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 16.7963 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9873 -0.4827 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 17.3841 -0.7039 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 16.5750 -1.2917 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 17.1628 -2.1007 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 16.7561 -3.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3439 -3.8233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3384 -3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9372 -4.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5249 -5.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7660 -1.8795 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 17 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 25 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 29 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 11 12 1 0 0 0 0 21 22 1 0 0 0 0 29 30 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 37 42 1 0 0 0 0 M CHG 6 31 -1 33 1 34 1 35 2 36 1 42 1 M END