B57GXV
-OEChem-04012114072D
46 49 0 1 0 0 0 0 0999 V2000
5.8042 -0.2177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.2399 -3.0958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.8431 -2.8745 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.4611 -1.6990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4952 -1.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 0.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7553 -0.5267 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.0643 -1.4777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 0.0611 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.3733 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 1.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0643 -1.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4303 1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6983 1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4303 2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6521 -2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3243 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6983 2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 3.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3243 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2303 1.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2303 2.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1167 0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9397 -0.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6833 0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1613 1.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3171 0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1613 2.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5643 3.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3171 3.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 -1.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7661 1.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7661 2.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 1.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 -0.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 1.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 1.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 0.4288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
4 17 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
8 12 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
10 12 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
12 17 1 0 0 0 0
13 16 1 0 0 0 0
13 18 2 0 0 0 0
14 19 1 0 0 0 0
14 33 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 20 1 0 0 0 0
16 21 2 0 0 0 0
18 24 1 0 0 0 0
18 34 1 0 0 0 0
19 20 2 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 25 1 0 0 0 0
21 37 1 0 0 0 0
22 26 1 0 0 0 0
22 38 1 0 0 0 0
23 27 2 0 0 0 0
23 39 1 0 0 0 0
24 25 2 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
26 28 2 0 0 0 0
26 42 1 0 0 0 0
27 28 1 0 0 0 0
27 43 1 0 0 0 0
28 29 1 0 0 0 0
29 44 1 0 0 0 0
29 45 1 0 0 0 0
29 46 1 0 0 0 0
M END
$$$$