B6X1WU
-OEChem-04022106273D
39 40 0 0 0 0 0 0 0999 V2000
0.2227 1.8069 -1.1566 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4405 0.2837 -0.3969 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5247 1.6038 0.7508 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4984 0.2614 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9609 0.5073 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0564 -1.1740 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4296 1.3015 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5329 2.5517 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6768 1.9042 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7461 1.3203 1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3408 -2.1721 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5144 -0.0799 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6320 -1.4897 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3835 0.8151 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0850 1.5457 0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0633 -3.4856 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8531 0.1457 -1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 -2.8032 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6384 0.9585 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 -3.8011 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4121 0.4028 1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0746 3.3362 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9084 3.0195 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6347 1.1320 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4043 2.6717 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3047 1.4737 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3271 1.7863 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8777 -1.9398 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9309 -0.7021 -1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8596 -0.7412 -1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7021 -0.0038 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8075 1.2218 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6962 2.1794 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1586 -4.2626 1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2833 -0.3076 -2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5696 -3.0499 -2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6803 1.1352 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 -4.8239 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8749 -0.4044 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
2 14 1 0 0 0 0
2 39 1 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 24 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 21 1 0 0 0 0
5 10 2 0 0 0 0
5 12 1 0 0 0 0
6 11 2 0 0 0 0
6 13 1 0 0 0 0
8 9 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 14 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 15 1 0 0 0 0
10 27 1 0 0 0 0
11 16 1 0 0 0 0
11 28 1 0 0 0 0
12 17 2 0 0 0 0
12 29 1 0 0 0 0
13 18 2 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 19 2 0 0 0 0
15 33 1 0 0 0 0
16 20 2 0 0 0 0
16 34 1 0 0 0 0
17 19 1 0 0 0 0
17 35 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
M END
$$$$