B1SHL3
-OEChem-04042104563D
51 53 0 1 0 0 0 0 0999 V2000
0.2954 -1.1395 -1.8932 S 0 0 0 0 0 0 0 0 0 0 0 0
0.0707 -2.1846 -2.8742 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2729 -0.0984 -2.1484 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3837 2.1865 0.2459 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0481 -0.9730 0.5236 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8350 0.2976 0.8378 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6701 0.8219 0.0109 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2510 0.5968 -0.0137 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4474 0.0695 -0.1355 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2747 -0.3825 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7546 -1.9014 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2929 0.9572 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0523 -1.1204 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8305 1.0964 1.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9537 -3.2876 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6040 -1.7772 1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8849 0.2304 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0252 1.4040 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0148 1.2493 0.4101 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4674 -3.9147 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8012 -3.1601 1.8931 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1566 1.7734 1.8338 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0440 2.5590 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1161 0.5349 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1538 2.8451 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2260 0.8209 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3234 0.5202 -1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2448 1.9761 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5270 -0.7938 0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0495 -1.1136 -1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3668 0.4547 -2.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6351 1.8253 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 0.6529 2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3713 2.0457 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7380 -3.8981 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 -1.2607 2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7964 2.1080 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6224 -4.9895 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2053 -3.6475 2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2278 2.2514 2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9598 2.5148 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3731 0.9636 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2029 3.2467 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1234 -0.3641 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0527 1.1320 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1686 3.7446 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0763 0.1453 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5007 -0.0663 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3247 1.5149 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2548 0.0224 -1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1091 2.1991 -1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
4 12 2 0 0 0 0
5 17 2 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
7 9 1 0 0 0 0
7 17 1 0 0 0 0
7 32 1 0 0 0 0
8 19 1 0 0 0 0
8 27 1 0 0 0 0
8 45 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 13 1 0 0 0 0
11 15 2 0 0 0 0
13 16 2 0 0 0 0
14 18 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 20 1 0 0 0 0
15 35 1 0 0 0 0
16 21 1 0 0 0 0
16 36 1 0 0 0 0
17 19 1 0 0 0 0
18 23 2 0 0 0 0
18 24 1 0 0 0 0
19 22 1 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
23 25 1 0 0 0 0
23 43 1 0 0 0 0
24 26 2 0 0 0 0
24 44 1 0 0 0 0
25 28 2 0 0 0 0
25 46 1 0 0 0 0
26 28 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
28 51 1 0 0 0 0
M END
$$$$