BW98OF
-OEChem-04012113342D
63 68 0 0 0 0 0 0 0999 V2000
5.6103 -0.2544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -3.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -4.7154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5028 0.7767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7490 2.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 -1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -1.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -3.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2101 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5458 0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1886 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8564 1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8349 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1456 2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4778 3.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1241 2.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4813 0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7920 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7884 4.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4993 3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1206 4.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8314 3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1421 4.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7705 2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4030 -2.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7742 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9385 -1.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9880 -2.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5812 -2.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6112 0.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0179 -0.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8250 -1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6607 -0.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9004 1.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3071 0.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -3.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3747 -0.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7960 2.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.7207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9598 -0.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3812 2.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3167 3.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8954 0.5215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3951 4.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3066 2.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3132 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2247 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7280 5.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 6 1 0 0 0 0
2 12 1 0 0 0 0
2 13 1 0 0 0 0
3 13 2 0 0 0 0
3 15 1 0 0 0 0
4 25 1 0 0 0 0
4 29 2 0 0 0 0
5 36 3 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 37 1 0 0 0 0
7 9 1 0 0 0 0
7 38 1 0 0 0 0
7 39 1 0 0 0 0
8 10 1 0 0 0 0
8 40 1 0 0 0 0
8 41 1 0 0 0 0
9 42 1 0 0 0 0
9 43 1 0 0 0 0
10 44 1 0 0 0 0
10 45 1 0 0 0 0
11 14 1 0 0 0 0
11 46 1 0 0 0 0
11 47 1 0 0 0 0
12 15 1 0 0 0 0
12 16 2 0 0 0 0
13 48 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 19 2 0 0 0 0
16 20 1 0 0 0 0
16 49 1 0 0 0 0
17 22 1 0 0 0 0
17 50 1 0 0 0 0
18 23 2 0 0 0 0
18 51 1 0 0 0 0
19 21 1 0 0 0 0
19 52 1 0 0 0 0
20 21 2 0 0 0 0
20 53 1 0 0 0 0
21 54 1 0 0 0 0
22 24 2 0 0 0 0
22 55 1 0 0 0 0
23 24 1 0 0 0 0
23 56 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
27 31 2 0 0 0 0
27 32 1 0 0 0 0
28 30 2 0 0 0 0
28 57 1 0 0 0 0
29 30 1 0 0 0 0
29 58 1 0 0 0 0
30 36 1 0 0 0 0
31 33 1 0 0 0 0
31 59 1 0 0 0 0
32 34 2 0 0 0 0
32 60 1 0 0 0 0
33 35 2 0 0 0 0
33 61 1 0 0 0 0
34 35 1 0 0 0 0
34 62 1 0 0 0 0
35 63 1 0 0 0 0
M END
$$$$