BBP87H
-OEChem-04022111483D
53 54 0 1 0 0 0 0 0999 V2000
5.4874 -0.4821 1.3373 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7900 -2.4090 0.1322 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0488 0.3971 -2.3164 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4521 1.6761 2.1196 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1681 2.2005 0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3399 1.9359 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9828 -0.3896 -0.3414 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3306 0.6476 -0.9908 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3689 -0.1583 -0.6821 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5754 -0.3836 -0.5557 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0941 -1.7849 -0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2930 -2.1727 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8272 1.1931 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3102 -1.0936 0.0532 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9295 -0.0900 -1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2687 -2.1354 1.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7426 -3.5554 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2753 0.8664 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4603 1.8677 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 2.7620 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8758 2.1456 -1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2047 0.8905 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0630 0.4960 -0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2273 0.2218 1.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9434 -0.5675 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1082 -0.8417 1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9662 -1.2364 0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4715 -0.2509 -1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6812 -0.3080 0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8374 -2.5260 -0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0610 -1.8553 -2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0376 -1.4483 -0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0290 1.9398 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6917 1.5622 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2892 -1.1317 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7808 -0.7536 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8112 0.5079 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 -2.7558 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 -2.5103 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1426 -1.1165 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0526 -4.3349 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7412 -3.7939 -0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7837 -3.5932 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5416 -3.0071 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1362 2.9847 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 3.7039 -0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5587 2.8392 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8374 1.2131 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0991 1.0083 -1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5598 0.5237 2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6164 -0.8711 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1251 -1.3630 2.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6526 -2.0638 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 18 1 0 0 0 0
2 14 1 0 0 0 0
2 44 1 0 0 0 0
3 15 2 0 0 0 0
4 18 2 0 0 0 0
5 19 2 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
7 36 1 0 0 0 0
8 10 1 0 0 0 0
8 19 1 0 0 0 0
8 37 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 15 1 0 0 0 0
10 29 1 0 0 0 0
11 12 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 16 1 0 0 0 0
12 17 1 0 0 0 0
12 32 1 0 0 0 0
13 18 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 45 1 0 0 0 0
20 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 49 1 0 0 0 0
24 26 2 0 0 0 0
24 50 1 0 0 0 0
25 27 2 0 0 0 0
25 51 1 0 0 0 0
26 27 1 0 0 0 0
26 52 1 0 0 0 0
27 53 1 0 0 0 0
M END
$$$$