BB78JV
-OEChem-04012112483D
41 43 0 0 0 0 0 0 0999 V2000
-4.5537 -2.7874 -0.0013 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5831 -2.5685 0.0008 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4283 -2.1382 -1.0897 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4263 -2.1716 1.0851 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.6933 5.4032 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.6854 -3.5060 -1.2606 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7154 -3.5008 1.2583 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3335 0.4769 0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9213 -0.7456 0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 -0.0317 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0744 1.3073 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9859 0.1173 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 1.4016 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1025 2.3641 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0043 -1.9826 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 -1.0182 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1479 -1.0182 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3849 -1.6612 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3858 -1.6611 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3506 -0.3054 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 2.8777 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 2.8771 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7398 -1.4620 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3136 3.9043 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3146 3.9038 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6978 -1.7940 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 4.4174 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9802 -1.7546 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0785 2.3085 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6779 -0.7722 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6793 -0.7724 2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8515 -1.8954 -2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8533 -1.8963 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 2.4889 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 2.4878 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7395 -1.9018 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5953 -0.8567 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6017 -0.8610 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 4.3042 -2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6831 4.3032 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 16 1 0 0 0 0
1 24 1 0 0 0 0
2 27 1 0 0 0 0
3 27 1 0 0 0 0
4 27 1 0 0 0 0
5 28 1 0 0 0 0
8 21 2 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 29 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 14 2 0 0 0 0
13 21 1 0 0 0 0
14 30 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 19 1 0 0 0 0
17 31 1 0 0 0 0
18 20 2 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
20 34 1 0 0 0 0
21 27 1 0 0 0 0
22 25 1 0 0 0 0
22 35 1 0 0 0 0
23 26 2 0 0 0 0
23 36 1 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
25 28 2 0 0 0 0
25 40 1 0 0 0 0
26 28 1 0 0 0 0
26 41 1 0 0 0 0
M END
$$$$