D07GZG
07220500112D 1 1.00000 0.00000 0
45 49 0 1 0 999 V2000
0.5379 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0
0.6034 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0
1.2276 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0
-0.0621 2.2207 0.0000 C 0 0 0 0 0 0 0 0 0
-0.0448 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0
1.3345 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0
1.7207 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0
1.3172 2.8069 0.0000 C 0 0 0 0 0 0 0 0 0
0.0276 2.9655 0.0000 C 0 0 0 0 0 0 0 0 0
-0.0448 -0.1103 0.0000 C 0 0 2 0 0 0 0 0 0
0.7172 3.2586 0.0000 C 0 0 0 0 0 0 0 0 0
-0.6379 -0.5414 0.0000 N 0 0 0 0 0 0 0 0 0
0.5759 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0
-0.7621 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0
0.6897 -0.5276 0.0000 N 0 0 0 0 0 0 0 0 0
0.5793 -1.2828 0.0000 O 0 0 0 0 0 0 0 0 0
-1.3828 -0.9621 0.0000 C 0 0 1 0 0 0 0 0 0
-0.7586 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0
1.2828 -0.9621 0.0000 C 0 0 1 0 0 0 0 0 0
-1.9759 -0.5276 0.0000 N 0 0 3 0 0 0 0 0 0
-1.3862 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0
1.2828 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0
1.9069 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0
-2.0897 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0
-2.5586 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0
-2.1931 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0
1.9310 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0
2.1241 -0.5276 0.0000 N 0 0 0 0 0 0 0 0 0
1.9069 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0
-2.7138 -0.1103 0.0000 C 0 0 2 0 0 0 0 0 0
-2.0862 -1.2828 0.0000 O 0 0 0 0 0 0 0 0 0
1.9310 -2.8448 0.0000 C 0 0 0 0 0 0 0 0 0
2.5828 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0
-2.7138 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0
-3.3034 -0.5414 0.0000 N 0 0 0 0 0 0 0 0 0
2.5828 -3.2172 0.0000 C 0 0 0 0 0 0 0 0 0
3.2310 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0
-2.0655 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0
3.2310 -2.8448 0.0000 C 0 0 0 0 0 0 0 0 0
-2.0655 1.7724 0.0000 C 0 0 0 0 0 0 0 0 0
-1.4138 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0
-1.4138 2.1483 0.0000 C 0 0 0 0 0 0 0 0 0
-0.7655 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0
-0.7655 1.7724 0.0000 C 0 0 0 0 0 0 0 0 0
-0.1138 2.1483 0.0000 O 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 2 0 0 0
1 4 1 0 0 0
2 5 1 0 0 0
2 6 2 0 0 0
3 7 1 0 0 0
3 8 1 0 0 0
4 9 2 0 0 0
10 5 1 1 0 0
8 11 2 0 0 0
10 12 1 0 0 0
10 13 1 0 0 0
12 14 1 0 0 0
13 15 1 0 0 0
13 16 2 0 0 0
17 14 1 6 0 0
14 18 2 0 0 0
15 19 1 0 0 0
17 20 1 0 0 0
17 21 1 0 0 0
19 22 1 6 0 0
19 23 1 0 0 0
20 24 1 0 0 0
20 25 1 0 0 0
21 26 1 0 0 0
22 27 1 0 0 0
23 28 1 0 0 0
23 29 2 0 0 0
24 30 1 0 0 0
24 31 2 0 0 0
27 32 2 0 0 0
27 33 1 0 0 0
30 34 1 1 0 0
30 35 1 0 0 0
32 36 1 0 0 0
33 37 2 0 0 0
34 38 1 0 0 0
36 39 2 0 0 0
38 40 2 0 0 0
38 41 1 0 0 0
40 42 1 0 0 0
41 43 2 0 0 0
42 44 2 0 0 0
44 45 1 0 0 0
6 7 1 0 0 0
9 11 1 0 0 0
25 26 1 0 0 0
37 39 1 0 0 0
43 44 1 0 0 0
M PXA 35 -3.5276 -0.5241 0.0000 H NH2
M STY 4 1 SUP 2 SUP 3 SUP 4 SUP
M SLB 4 1 1 2 2 3 3 4 5
M SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 16
M SBL 1 2 13 14
M SMT 1 Trp
M SBV 1 13 -0.1207 0.0000
M SBV 1 14 0.1103 0.0000
M SCL 1 AA
M SAP 1 2 12 14 Al 13 15 Br
M SAL 2 12 24 30 31 34 35 38 40 41 42 43 44 45
M SBL 2 1 23
M SMT 2 Tyr
M SBV 2 23 0.1207 0.0000
M SCL 2 AA
M SAP 2 2 24 20 Br 35 0 Al
M SAL 3 7 14 17 18 20 21 25 26
M SBL 3 2 13 23
M SMT 3 Pro
M SBV 3 13 0.1207 0.0000
M SBV 3 23 -0.1207 0.0000
M SCL 3 AA
M SAP 3 2 14 12 Br 20 24 Al
M SAL 4 11 15 19 22 23 27 29 32 33 36 37 39
M SBL 4 2 14 27
M SMT 4 Phe
M SBV 4 14 -0.1103 0.0000
M SBV 4 27 0.2207 0.0103
M SCL 4 AA
M SAP 4 2 15 13 Al 23 28 Br
M END
$$$$