NCI:630197 BBtclserve11129919452D 0 0.00000 0.00000216433 999-99-9 69 70 0 0 0 0 0 0 0 0 1 V2000 6.7522 2.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 2.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 1.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 2.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 3.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3522 4.1931 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 4.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 3.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 4.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 1.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -0.0702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -1.6883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6657 2.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4747 2.9587 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 2.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 3.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2838 3.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1973 3.1398 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6040 4.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7906 2.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9199 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8334 2.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2402 3.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4267 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7470 2.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8515 1.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5560 3.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4514 4.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4695 2.6884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2785 3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1921 2.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0011 3.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8966 4.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9147 3.0505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7237 3.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6372 3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4462 3.8193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.3598 3.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1688 4.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0643 4.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0823 3.5937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8914 4.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8049 3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6139 4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9094 2.7802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4643 2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3779 2.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4824 1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3959 0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5005 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4140 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5185 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4321 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5366 -3.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4502 -3.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5547 -4.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4683 -4.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4683 0.0000 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 6 1 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 8 11 1 0 0 0 0 5 12 1 0 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 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 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 49 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 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 5 6 1 0 0 0 0 16 17 2 0 0 0 0 20 21 2 0 0 0 0 M END