BMI19W
-OEChem-04022105493D
40 39 0 1 0 0 0 0 0999 V2000
3.2217 -2.2489 1.2964 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3047 2.8670 -0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4974 2.4143 1.3573 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2437 -0.8913 -0.5375 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8720 -0.2929 0.9710 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 0.4489 -1.3707 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7826 1.2028 -0.1548 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3985 0.4222 -0.4325 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5334 1.6752 -0.6992 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6074 -0.9006 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3799 1.8108 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4017 -2.1910 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0178 1.2083 0.5950 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8479 2.4272 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 -0.0652 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8322 -2.8709 2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9444 -2.1105 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1733 -2.9053 -1.8379 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8093 0.5134 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1149 1.6195 -1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7711 -0.8948 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1587 -0.9570 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 -3.0608 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1768 -2.2953 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7628 1.2446 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0261 1.3328 -1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1953 -0.2798 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7839 0.7440 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7621 2.8984 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1223 2.4094 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7757 2.4650 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2943 3.3540 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1473 -2.9838 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5108 -3.8480 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9941 -2.1702 2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9451 -1.8801 -1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0321 -2.6918 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0612 -2.3296 -2.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1630 -3.1261 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6808 -3.8465 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 16 1 0 0 0 0
2 9 1 0 0 0 0
2 29 1 0 0 0 0
3 11 2 0 0 0 0
4 15 1 0 0 0 0
4 17 1 0 0 0 0
5 15 2 0 0 0 0
6 8 1 0 0 0 0
6 26 1 0 0 0 0
6 27 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
7 28 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 19 1 0 0 0 0
9 11 1 0 0 0 0
9 20 1 0 0 0 0
10 12 1 0 0 0 0
10 21 1 0 0 0 0
10 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 25 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
M END
$$$$