NCI:621974 BBtclserve11129919392D 0 0.00000 0.00000212083 999-99-9 84 88 0 0 0 0 0 0 0 0 3 V2000 6.7886 5.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9225 4.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9225 3.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7886 3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 3.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 4.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5206 5.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 4.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 3.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5206 3.1626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5206 -0.1974 0.0000 Rh 0 1 0 0 0 0 0 0 0 0 0 0 8.5206 -1.1974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 -1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 -2.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5208 -3.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 -2.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6545 -1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2527 -1.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1187 -1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1187 -2.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2526 -3.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7525 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1070 -2.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1228 -2.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7841 -1.7577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4295 -0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4137 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0592 -0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7205 0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7363 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0908 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 -2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1933 -2.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 -4.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -3.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 -1.3520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7886 -1.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3257 3.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6184 -3.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0929 3.9603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9210 4.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1140 -4.4305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6094 -5.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7886 -0.1974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9225 0.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6881 5.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9819 5.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1049 -6.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6093 -5.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 0.3026 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.6546 0.3026 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 5.9225 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 -0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9847 -3.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9847 -4.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -5.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7384 -5.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 5.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 6.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3659 1.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3501 1.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3975 1.6517 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.0430 2.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4133 1.8288 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0565 3.1626 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1905 3.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 2.1626 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.7641 -0.9337 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.7483 -1.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2687 -0.0650 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5557 -4.6052 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3837 -5.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4948 -4.2615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.3501 0.0000 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 1 0 0 0 0 8 9 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 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 15 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 26 31 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 35 36 1 0 0 0 0 32 37 1 0 0 0 0 11 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 34 41 1 0 0 0 0 17 42 1 0 0 0 0 39 43 1 0 0 0 0 9 44 1 0 0 0 0 24 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 42 50 1 0 0 0 0 50 51 1 0 0 0 0 47 52 1 0 0 0 0 47 53 1 0 0 0 0 49 54 1 0 0 0 0 49 55 1 0 0 0 0 51 58 1 0 0 0 0 51 59 1 0 0 0 0 43 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 20 64 1 0 0 0 0 64 65 1 0 0 0 0 36 66 1 0 0 0 0 66 67 1 0 0 0 0 2 68 1 0 0 0 0 68 69 1 0 0 0 0 29 70 1 0 0 0 0 70 71 1 0 0 0 0 30 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 3 75 1 0 0 0 0 75 76 2 0 0 0 0 75 77 1 0 0 0 0 19 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 37 81 1 0 0 0 0 81 82 2 0 0 0 0 81 83 1 0 0 0 0 5 6 1 0 0 0 0 9 10 1 0 0 0 0 16 17 1 0 0 0 0 20 21 2 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 30 31 2 0 0 0 0 36 37 2 0 0 0 0 33 38 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 8 11 3 56 -1 57 -1 72 1 74 -1 75 1 77 -1 78 1 M CHG 4 80 -1 81 1 83 -1 84 -1 M END $$$$