B6HOP7
-OEChem-04022104053D
42 45 0 1 0 0 0 0 0999 V2000
-4.8646 0.2611 1.7602 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9211 -0.0133 -0.4986 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 -1.5325 -0.3395 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6854 -0.2625 -0.0364 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9195 1.3140 -0.0876 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4030 0.6959 -0.2387 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6935 2.4336 -0.0088 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6459 4.4563 -0.1931 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1782 -1.6303 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5079 -2.0266 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2403 -2.5347 1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 -1.2897 -0.5119 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9404 -2.6549 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0049 -3.6443 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6483 -2.9557 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0160 -0.8097 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 -0.5624 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3428 -0.0220 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4109 -0.9845 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5670 1.6454 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3540 -0.1579 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4973 3.0194 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8276 3.4450 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6823 3.8104 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9505 -2.0812 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0736 -1.2833 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1129 -2.7300 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9886 -3.5781 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9576 -2.1330 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5622 -0.5632 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 -2.7575 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9894 -2.8177 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2901 -3.7777 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0083 -4.6274 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -3.2683 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1564 -3.2184 -1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3114 0.5346 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1457 -1.6399 1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3788 -0.0617 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6637 -2.0344 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2122 4.4538 0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7392 0.6916 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 42 1 0 0 0 0
2 21 2 0 0 0 0
3 12 1 0 0 0 0
3 15 1 0 0 0 0
3 17 1 0 0 0 0
4 9 1 0 0 0 0
4 18 1 0 0 0 0
4 37 1 0 0 0 0
5 7 1 0 0 0 0
5 18 1 0 0 0 0
5 20 1 0 0 0 0
6 17 2 0 0 0 0
6 20 1 0 0 0 0
7 23 2 0 0 0 0
8 24 3 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 13 1 0 0 0 0
12 16 1 0 0 0 0
12 30 1 0 0 0 0
13 14 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 21 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 19 1 0 0 0 0
18 19 2 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
23 41 1 0 0 0 0
M END
$$$$