NCI:646253 BBtclserve11129920022D 0 0.00000 0.00000224836 999-99-9 116124 0 0 0 0 0 0 0 0 1 V2000 20.2545 -2.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5492 -3.7340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0707 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0877 -3.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1047 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4541 -3.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7865 -4.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7694 -4.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4201 -3.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9209 -2.3295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6519 -1.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3782 -0.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4705 0.4260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5520 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8921 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4027 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8921 0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4028 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9135 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9134 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5202 1.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5877 2.3562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6431 3.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6098 3.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1519 2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1507 2.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6074 3.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0653 4.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0665 4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6552 1.9949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2592 1.3212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7049 0.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7972 -0.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7727 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2833 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6234 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2640 0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5847 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9247 1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9441 1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1018 -5.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4512 -6.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7835 -7.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1329 -8.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4653 -9.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8147 -9.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1470 -10.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4964 -11.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8288 -12.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1782 -13.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5105 -14.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8599 -14.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1923 -15.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5416 -16.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8740 -17.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2234 -18.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5557 -19.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9051 -20.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2375 -21.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5653 1.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2252 0.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2059 0.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8658 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8464 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5063 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4870 -0.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1469 -1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1275 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7875 -1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7681 -1.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4280 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4087 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0686 -2.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0492 -2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7092 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6898 -3.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3497 -3.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3304 -3.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5221 5.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9800 6.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4367 7.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8947 8.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3514 8.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8093 9.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2661 10.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7240 11.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1808 12.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6387 13.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0954 14.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5534 14.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0101 15.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4680 16.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9248 17.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3827 18.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8394 19.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2974 20.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7541 21.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4029 -0.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9136 -1.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9137 -1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4244 -2.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4245 -2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9352 -3.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 -3.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -4.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4461 -4.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9568 -5.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9569 -5.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4676 -6.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9784 -7.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9784 -7.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4891 -7.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -7.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -8.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.7866 0.0000 C 0 0 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 1 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 9 2 0 0 0 0 3 10 1 0 0 0 0 1 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 12 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 16 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 21 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 24 29 1 0 0 0 0 14 30 2 0 0 0 0 21 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 10 34 2 0 0 0 0 34 35 1 0 0 0 0 32 36 1 0 0 0 0 35 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 36 40 2 0 0 0 0 8 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 38 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 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 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 28 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 18 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 4 5 1 0 0 0 0 8 9 1 0 0 0 0 15 16 2 0 0 0 0 19 20 2 0 0 0 0 24 25 2 0 0 0 0 28 29 2 0 0 0 0 23 30 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 39 40 1 0 0 0 0 M END