BD69UM
-OEChem-04012114513D
62 66 0 1 0 0 0 0 0999 V2000
-7.0236 -0.5888 -0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2832 -2.7002 1.1675 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1236 2.0364 0.0090 N 0 0 2 0 0 0 0 0 0 0 0 0
1.1461 -0.6786 0.6584 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4178 4.7177 2.1219 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2614 -0.3900 -0.0754 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0637 -2.5826 0.8495 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -1.6030 0.3923 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5667 -0.9960 -2.7228 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 3.8002 0.9910 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0773 2.8855 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1797 4.5932 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2121 2.7284 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9958 3.6394 -1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8164 0.8266 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2025 -0.3710 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9528 -1.5349 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 0.8013 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8744 -0.4163 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 -2.0717 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 0.2616 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0747 -1.3672 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8251 0.0537 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5155 -0.8769 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2798 0.4674 -1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4820 -3.9468 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5103 -0.3715 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6005 -0.9588 -1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6187 -0.3640 0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7992 -1.5386 -1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8176 -0.9438 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9078 -1.5311 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4774 -0.9795 -2.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 3.1906 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2350 2.2633 2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8317 3.4762 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0800 5.1987 -0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3293 5.2861 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1362 3.3181 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2419 2.0035 -2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 4.2117 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9005 3.0301 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7417 1.7194 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2533 5.2905 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5463 4.1866 2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3453 0.6722 1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0338 1.0814 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6900 -1.5162 1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0401 -2.3284 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2720 0.8963 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7681 -0.7793 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1478 -1.6520 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5959 0.0183 1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3593 1.3708 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7374 0.6867 -2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 -4.3086 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1862 -3.9922 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3842 -4.5751 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5660 0.0886 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8864 -2.0009 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6807 -0.9383 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8412 -1.9826 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
1 25 1 0 0 0 0
2 20 2 0 0 0 0
3 11 1 0 0 0 0
3 13 1 0 0 0 0
3 15 1 0 0 0 0
4 16 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
5 10 1 0 0 0 0
5 44 1 0 0 0 0
5 45 1 0 0 0 0
6 19 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 17 1 0 0 0 0
7 20 1 0 0 0 0
7 26 1 0 0 0 0
8 17 1 0 0 0 0
8 19 2 0 0 0 0
9 33 3 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 14 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 14 1 0 0 0 0
13 39 1 0 0 0 0
13 40 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
16 17 2 0 0 0 0
18 19 1 0 0 0 0
18 43 1 0 0 0 0
21 27 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 24 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
23 25 1 0 0 0 0
23 50 1 0 0 0 0
23 51 1 0 0 0 0
24 52 1 0 0 0 0
24 53 1 0 0 0 0
25 54 1 0 0 0 0
25 55 1 0 0 0 0
26 56 1 0 0 0 0
26 57 1 0 0 0 0
26 58 1 0 0 0 0
27 28 1 0 0 0 0
27 29 2 0 0 0 0
28 30 2 0 0 0 0
28 33 1 0 0 0 0
29 31 1 0 0 0 0
29 59 1 0 0 0 0
30 32 1 0 0 0 0
30 60 1 0 0 0 0
31 32 2 0 0 0 0
31 61 1 0 0 0 0
32 62 1 0 0 0 0
M END
$$$$