D02GJZ
-OEChem-04152112123D
46 48 0 1 0 0 0 0 0999 V2000
6.7787 -0.9044 -0.3499 I 0 0 0 0 0 0 0 0 0 0 0 0
-5.9293 -1.1863 -1.0174 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.4342 -1.5705 -0.2616 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4942 -1.8754 1.8317 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0987 0.3992 -0.3568 N 0 0 2 0 0 0 0 0 0 0 0 0
-1.6194 0.6991 1.0070 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5458 1.5113 -1.1484 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1123 0.3338 1.0693 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7224 1.0895 -0.0019 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8367 2.2109 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 1.1950 -1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7754 2.7509 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5538 0.3080 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1658 0.6140 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 -1.1612 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0592 -0.8826 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 1.0517 0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5518 -0.2571 -1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5705 -1.0138 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4183 0.6158 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8747 -0.6929 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8079 -0.2565 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3577 -2.9784 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1214 0.1549 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0170 1.6095 -2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2717 0.6054 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8025 2.1294 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0924 2.6869 1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8246 2.4201 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.9823 -1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0210 0.2775 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7308 3.2275 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9918 3.5057 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0578 1.2226 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8370 0.1567 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8131 -0.8058 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6013 -1.8029 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8038 1.7297 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 -0.6359 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0767 -0.1201 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9212 -1.8828 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1293 0.9679 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1566 -1.3757 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -3.1699 -1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9683 -3.5220 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6830 -3.3138 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 19 1 0 0 0 0
3 15 1 0 0 0 0
3 23 1 0 0 0 0
4 15 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 13 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 24 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 25 1 0 0 0 0
8 9 1 0 0 0 0
8 15 1 0 0 0 0
8 26 1 0 0 0 0
9 11 1 0 0 0 0
9 14 1 0 0 0 0
9 27 1 0 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 16 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
16 19 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 20 1 0 0 0 0
17 38 1 0 0 0 0
18 21 2 0 0 0 0
18 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
20 22 2 0 0 0 0
20 42 1 0 0 0 0
21 22 1 0 0 0 0
21 43 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
M ISO 1 1 123
M END
$$$$