NCI:621800 BBtclserve11129919392D 0 0.00000 0.00000212005 999-99-9 80 84 0 0 0 0 0 0 0 0 2 V2000 5.4641 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2842 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -2.4917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2014 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3382 -3.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 -3.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3433 -4.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 -5.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0752 -4.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 -3.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2861 -0.6037 0.0000 Rh 0 1 0 0 0 0 0 0 0 0 0 0 8.9276 -1.3709 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5840 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2254 -3.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2105 -2.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5541 -1.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9127 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2415 -0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8829 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5393 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5578 0.9339 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.0578 0.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0578 0.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5578 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0578 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0578 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5577 2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0577 3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0578 3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5578 2.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9586 1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3171 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9437 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 -0.7757 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 8.6297 0.3354 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 10.2499 -3.9643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7588 -4.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5578 2.6660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0578 3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5578 4.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0578 3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3224 3.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5586 3.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7357 4.8432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0578 5.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5578 6.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0578 6.9962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2171 -6.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3538 -6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8680 -0.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5095 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5578 4.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5578 4.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2564 -0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6149 0.5073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2677 -5.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7587 -4.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2676 -5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2675 -5.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7764 -6.5262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 0.4182 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 10 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 22 27 2 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 31 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 35 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 20 46 1 0 0 0 0 46 47 1 0 0 0 0 37 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 42 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 50 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 2 58 1 0 0 0 0 58 59 1 0 0 0 0 18 60 1 0 0 0 0 60 61 1 0 0 0 0 29 62 1 0 0 0 0 62 63 1 0 0 0 0 39 64 1 0 0 0 0 64 65 1 0 0 0 0 4 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 27 73 1 0 0 0 0 41 74 1 0 0 0 0 47 75 1 0 0 0 0 47 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 5 6 1 0 0 0 0 9 10 2 0 0 0 0 15 16 2 0 0 0 0 19 20 2 0 0 0 0 13 21 1 0 0 0 0 26 27 1 0 0 0 0 29 30 2 0 0 0 0 35 36 1 0 0 0 0 39 40 2 0 0 0 0 28 73 2 0 0 0 0 73 74 1 0 0 0 0 M CHG 8 10 1 13 1 21 3 22 1 31 1 44 -1 45 -1 80 -1 M END $$$$