BQP31B
-OEChem-04012115203D
49 52 0 0 0 0 0 0 0999 V2000
5.5919 1.5243 0.4248 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9039 -0.5095 1.3207 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0039 2.8258 -0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9183 1.1769 1.8025 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 1.2118 -0.9839 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 1.0638 -0.3110 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3803 1.1571 -1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2054 0.3134 -0.6363 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9706 -1.6870 0.6105 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9384 -1.4647 -1.5558 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7103 -0.2573 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5989 0.3835 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7777 0.2579 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8646 1.3892 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1048 1.1734 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1675 -0.0848 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2300 0.2630 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7641 -1.2596 1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2232 2.1446 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1261 0.5258 1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8434 2.0366 -0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 0.4179 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5789 -1.4022 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1058 0.8988 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9289 -1.7361 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4557 0.5651 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8672 -0.7524 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6757 -1.0187 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4586 -2.9331 0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4579 -2.7175 -1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6877 -3.5061 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5213 1.8431 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6533 1.6608 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3165 -2.2029 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2221 -0.9100 2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7871 -1.4699 1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7790 2.8176 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6052 -0.0722 1.7885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 2.6297 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2430 -0.2711 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8643 -2.1828 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8043 1.9306 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3245 0.6126 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2496 -2.7615 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1864 1.3307 0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9182 -1.0121 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6924 -3.4763 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8625 -3.0819 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2893 -4.5080 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 8 1 0 0 0 0
1 14 1 0 0 0 0
2 17 2 0 0 0 0
5 7 1 0 0 0 0
5 12 1 0 0 0 0
5 32 1 0 0 0 0
6 15 1 0 0 0 0
6 17 1 0 0 0 0
6 33 1 0 0 0 0
7 13 2 0 0 0 0
8 28 1 0 0 0 0
8 43 1 0 0 0 0
9 28 1 0 0 0 0
9 29 2 0 0 0 0
10 28 2 0 0 0 0
10 30 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
11 18 1 0 0 0 0
12 17 1 0 0 0 0
13 16 1 0 0 0 0
14 19 2 0 0 0 0
14 20 1 0 0 0 0
15 21 2 0 0 0 0
15 22 1 0 0 0 0
16 23 2 0 0 0 0
16 24 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 21 1 0 0 0 0
19 37 1 0 0 0 0
20 22 2 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
23 25 1 0 0 0 0
23 41 1 0 0 0 0
24 26 2 0 0 0 0
24 42 1 0 0 0 0
25 27 2 0 0 0 0
25 44 1 0 0 0 0
26 27 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
29 31 1 0 0 0 0
29 47 1 0 0 0 0
30 31 2 0 0 0 0
30 48 1 0 0 0 0
31 49 1 0 0 0 0
M END
$$$$