BH4J9W
-OEChem-04022102123D
54 56 0 0 0 0 0 0 0999 V2000
3.4924 -1.3826 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8327 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0006 0.6607 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0034 0.6607 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5096 2.6906 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3393 2.0140 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 2.0139 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2546 -2.0587 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8248 -0.0376 -2.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8303 -0.0375 2.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6290 0.1100 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5963 1.5045 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8531 -0.5589 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0117 1.5613 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8723 4.1374 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7875 2.2302 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0444 0.1668 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0631 -1.3334 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2221 -3.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 -2.0025 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3045 2.2582 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9304 -2.0524 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2851 2.3377 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 -4.1224 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1934 -3.3971 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4074 -0.6343 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3814 -1.2592 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4685 2.5467 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4728 2.5465 2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3047 -1.9928 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4505 -0.9351 -2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7766 -0.3181 -2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1155 0.5991 -3.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4562 -0.9350 2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1227 0.5992 3.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7825 -0.3182 2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4648 4.3973 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4772 4.3926 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9663 4.7515 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7684 3.3175 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0018 -0.3490 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0761 -0.2455 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1429 -4.0310 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7196 2.0187 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7183 2.0182 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4640 3.3421 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4493 -2.4618 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4486 -2.4637 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9668 -2.4078 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6009 2.5392 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1666 3.2920 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0836 1.7892 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9728 -5.2082 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 -3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 8 1 0 0 0 0
1 30 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 7 2 0 0 0 0
4 10 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 15 1 0 0 0 0
6 28 1 0 0 0 0
7 29 1 0 0 0 0
8 18 1 0 0 0 0
8 19 2 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
11 26 1 0 0 0 0
12 16 1 0 0 0 0
12 21 1 0 0 0 0
13 17 2 0 0 0 0
13 22 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
14 23 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 40 1 0 0 0 0
17 41 1 0 0 0 0
18 20 2 0 0 0 0
18 42 1 0 0 0 0
19 24 1 0 0 0 0
19 43 1 0 0 0 0
20 25 1 0 0 0 0
20 27 1 0 0 0 0
21 44 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
23 50 1 0 0 0 0
23 51 1 0 0 0 0
23 52 1 0 0 0 0
24 25 2 0 0 0 0
24 53 1 0 0 0 0
25 54 1 0 0 0 0
26 27 3 0 0 0 0
M END
$$$$