NCI:381839 BBtclserve11129919212D 0 0.00000 0.00000189904 64925-80-0 55 57 0 0 0 0 0 0 0 0 1 V2000 8.4741 -4.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1473 -3.8730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9981 -3.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 -4.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7630 -3.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6409 -2.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -3.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -4.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3877 -5.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5280 -4.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1190 -4.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4072 -3.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -3.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -2.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4682 -4.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9677 -1.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3116 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9677 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6409 0.4461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3116 -0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3097 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6105 -1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9981 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 -2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -0.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 0.4461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6409 1.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4741 2.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1473 1.8858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8313 3.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4144 2.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1473 2.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 2.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1793 2.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5897 3.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 2.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1196 2.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5300 4.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8845 2.0444 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 3.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7054 5.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2352 4.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 12 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 32 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 40 45 2 0 0 0 0 42 46 2 0 0 0 0 42 47 1 0 0 0 0 44 48 2 0 0 0 0 44 49 1 0 0 0 0 46 50 1 0 0 0 0 47 51 2 0 0 0 0 50 52 1 0 0 0 0 50 53 2 0 0 0 0 51 54 1 0 0 0 0 53 55 1 0 0 0 0 10 11 2 0 0 0 0 38 40 1 0 0 0 0 51 53 1 0 0 0 0 M END