NCI:111890 BBtclserve11129917302D 0 0.00000 0.00000 85595 999-99-9 30 31 0 0 0 0 0 0 0 0 2 V2000 4.6008 0.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 1.5291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0162 -0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2304 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9075 1.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 -1.0635 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9066 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 -0.7406 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6387 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5529 2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 -1.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -0.2930 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7727 -2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 0.2594 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5371 2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -3.7406 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1826 3.2997 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9066 -4.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 -4.2406 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8439 4.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1668 3.1226 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 2 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 21 2 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 16 24 2 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 15 21 1 0 0 0 0 17 24 1 0 0 0 0 M CHG 8 12 1 14 1 20 -1 23 -1 25 1 26 1 28 -1 30 -1 M END