NCI:651015 BBtclserve11129920052D 0 0.00000 0.00000226996 999-99-9 85 91 0 0 0 0 0 0 0 0 2 V2000 21.2380 4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1040 4.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1040 3.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2380 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3720 3.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3720 4.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5060 4.8279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6399 4.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6399 3.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7739 4.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8604 4.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6694 5.8224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6912 6.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1912 5.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 6.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1967 5.0597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6089 5.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0157 6.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6144 5.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 6.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1144 4.8982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5211 3.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1363 5.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0317 6.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1657 6.6007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2997 6.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2997 5.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4337 6.6007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 6.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6541 6.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4631 5.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 4.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 5.7643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 5.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0782 3.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 3.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0837 3.8802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 2.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6988 2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 1.7642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6668 0.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 -0.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 -1.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 -3.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -3.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -4.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -4.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9701 4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8361 4.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8361 3.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9701 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9701 5.8278 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.9701 6.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9701 5.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9701 5.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7021 2.8278 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.5681 2.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2021 1.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2021 3.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2380 1.8278 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.2380 0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2380 1.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2380 1.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.2754 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -2.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -4.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -5.8497 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -6.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -5.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 -6.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 -2.8642 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2416 -3.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9815 -3.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5995 -1.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5681 0.0000 0.0000 Na 0 3 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 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 20 24 1 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 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 47 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 48 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 52 56 1 0 0 0 0 2 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 3 60 1 0 0 0 0 57 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 2 0 0 0 0 61 64 1 0 0 0 0 59 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 2 0 0 0 0 65 68 1 0 0 0 0 4 69 1 0 0 0 0 69 70 2 0 0 0 0 69 71 2 0 0 0 0 69 72 1 0 0 0 0 53 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 2 0 0 0 0 73 76 1 0 0 0 0 55 77 1 0 0 0 0 77 78 2 0 0 0 0 77 79 2 0 0 0 0 77 80 1 0 0 0 0 48 81 1 0 0 0 0 81 82 2 0 0 0 0 81 83 2 0 0 0 0 81 84 1 0 0 0 0 5 6 1 0 0 0 0 13 14 2 0 0 0 0 23 24 2 0 0 0 0 32 33 1 0 0 0 0 41 42 1 0 0 0 0 47 49 2 0 0 0 0 51 52 1 0 0 0 0 55 56 2 0 0 0 0 59 60 2 0 0 0 0 M CHG 1 85 1 M END