LAB9J0
-OEChem-05022323353D
50 52 0 1 0 0 0 0 0999 V2000
4.3958 0.5752 0.9695 S 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 0.1888 1.7831 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5366 1.6795 1.3333 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1451 -0.5735 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4233 -0.8080 0.6887 N 0 0 1 0 0 0 0 0 0 0 0 0
-0.0196 -1.5524 -0.5933 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1922 -0.8788 -0.9057 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7854 0.1583 0.5227 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6372 0.0950 -1.6867 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1085 1.1491 -0.0756 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2256 -1.7700 0.1013 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1388 -0.5497 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9176 -3.0320 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1444 -1.9927 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 -3.2321 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9767 0.8516 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4835 2.2778 -0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9309 2.5069 -2.3517 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6453 2.5701 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1358 -0.9580 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4854 -0.3473 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3747 -0.3775 -1.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0513 0.6395 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9214 0.5955 -0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7435 1.2401 1.6879 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0112 1.5446 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9969 -1.9202 1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -0.3330 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.3172 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0680 -2.9604 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 -3.9093 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0718 -2.1615 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3949 -1.8306 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1002 -3.4540 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7778 -4.0978 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7631 0.1191 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1520 0.6844 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6778 2.9904 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0651 -1.7733 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2652 3.5393 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1045 2.3206 -3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7567 1.8398 -2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1015 3.5380 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3178 2.6308 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4283 1.8078 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0157 -1.2479 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0997 -0.7922 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3674 1.4323 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9287 1.2514 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8532 2.0077 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
1 16 1 0 0 0 0
4 20 2 0 0 0 0
5 12 1 0 0 0 0
5 14 1 0 0 0 0
6 11 1 0 0 0 0
6 20 1 0 0 0 0
6 39 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
7 46 1 0 0 0 0
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9 24 2 0 0 0 0
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12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 15 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 15 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 17 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 38 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
21 22 2 0 0 0 0
22 47 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 2 0 0 0 0
25 48 1 0 0 0 0
26 50 1 0 0 0 0
M END
$$$$