B3VAI6
-OEChem-04012115203D
47 50 0 0 0 0 0 0 0999 V2000
5.1231 1.8729 0.4165 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2232 3.2915 0.0938 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7186 1.3915 1.6571 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7109 -1.4838 1.7700 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6449 0.4041 0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7544 0.9764 -0.9125 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 -1.7024 1.4199 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8158 -1.5793 1.1067 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -1.1903 -0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4311 1.4420 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7278 0.7537 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 2.1988 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9870 0.3409 1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1721 1.8546 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6353 -0.0032 1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7203 -0.7455 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8374 -0.5016 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5601 0.0591 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3078 -0.6570 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0736 -0.0274 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4817 -0.4347 -0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0775 0.6283 -1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2697 -0.2217 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6599 -0.9410 -1.9611 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2778 1.0897 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4700 0.2396 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4740 0.8954 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4241 -2.3112 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8156 -2.5178 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 -3.1216 -1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8480 3.0556 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6763 -0.2626 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4760 2.4518 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3675 -0.8679 1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2150 1.0235 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6949 1.4502 -1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2963 0.9311 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2381 -2.4665 2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1639 0.7857 -2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2982 -0.7213 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2072 -0.2988 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2816 1.5981 -2.9695 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4014 0.0902 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4086 1.2545 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7848 -2.7465 -2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2949 -3.1055 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8388 -4.1921 -0.9996 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 6 1 0 0 0 0
1 10 1 0 0 0 0
4 19 2 0 0 0 0
5 11 1 0 0 0 0
5 19 1 0 0 0 0
5 35 1 0 0 0 0
6 21 1 0 0 0 0
6 36 1 0 0 0 0
7 8 1 0 0 0 0
7 16 1 0 0 0 0
7 38 1 0 0 0 0
8 17 2 0 0 0 0
9 21 1 0 0 0 0
9 29 2 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 14 1 0 0 0 0
12 31 1 0 0 0 0
13 15 2 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 20 1 0 0 0 0
18 37 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 24 2 0 0 0 0
22 25 1 0 0 0 0
22 39 1 0 0 0 0
23 26 2 0 0 0 0
23 40 1 0 0 0 0
24 28 1 0 0 0 0
24 41 1 0 0 0 0
25 27 2 0 0 0 0
25 42 1 0 0 0 0
26 27 1 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
28 30 2 0 0 0 0
28 45 1 0 0 0 0
29 30 1 0 0 0 0
29 46 1 0 0 0 0
30 47 1 0 0 0 0
M END
$$$$