B3DLM8
-OEChem-04022109503D
70 73 0 1 0 0 0 0 0999 V2000
5.3213 0.0064 -0.4042 S 0 0 0 0 0 0 0 0 0 0 0 0
-10.5927 -2.3049 1.1794 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8675 -3.8434 0.4991 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0664 0.4629 -1.5685 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9475 0.0259 0.9098 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1939 1.8191 3.1792 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9464 3.3618 2.0802 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7333 -1.5622 -0.7074 N 0 0 1 0 0 0 0 0 0 0 0 0
0.2632 3.0302 0.0597 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0576 -2.2862 0.4160 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1333 -3.2761 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9282 -1.7684 -1.9495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6632 -2.4795 -1.4914 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0793 -2.9778 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3051 -1.7735 0.8415 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8277 0.9098 -0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4409 -2.6956 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5678 -1.1969 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4754 -1.9638 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4410 -1.0645 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5164 -0.3385 -1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5283 0.5673 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1801 1.0576 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5802 1.2693 -1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4633 2.3514 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0067 1.7813 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5696 2.1451 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2928 1.4799 -1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5404 2.8072 -1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5445 3.7254 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0986 2.2096 -1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1058 2.1118 2.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0296 2.9337 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8485 -4.5244 1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4464 -1.6060 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3042 -3.5952 0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6629 -4.1736 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5128 -2.4265 -2.6038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7072 -0.8697 -2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2306 -3.1079 -2.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9079 -1.7460 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5618 -3.5640 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7276 -2.2563 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7757 -1.2276 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8702 -3.3305 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0646 -3.3686 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9036 -0.2377 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8099 -1.3935 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0578 -1.3555 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9444 -2.7128 -1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8398 -1.6726 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9582 -0.3151 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9677 -1.0763 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1156 0.2612 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0782 1.3168 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9459 -0.0312 0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5701 0.6357 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1562 1.8861 -2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0444 0.5192 -2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 2.9212 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0484 1.5212 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 1.3812 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9964 2.0235 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0747 3.3955 -2.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0987 4.5136 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 4.2238 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7028 2.6415 -2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4190 -5.1763 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3715 -5.1409 2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5361 -3.8096 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 8 1 0 0 0 0
1 16 1 0 0 0 0
2 15 1 0 0 0 0
2 18 1 0 0 0 0
3 14 1 0 0 0 0
3 34 1 0 0 0 0
6 32 2 0 0 0 0
7 33 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 25 1 0 0 0 0
9 30 1 0 0 0 0
9 33 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 35 1 0 0 0 0
11 13 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 13 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 40 1 0 0 0 0
13 41 1 0 0 0 0
14 42 1 0 0 0 0
14 43 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
15 44 1 0 0 0 0
16 23 2 0 0 0 0
16 28 1 0 0 0 0
17 19 1 0 0 0 0
17 45 1 0 0 0 0
17 46 1 0 0 0 0
18 47 1 0 0 0 0
18 48 1 0 0 0 0
19 20 1 0 0 0 0
19 49 1 0 0 0 0
19 50 1 0 0 0 0
20 21 1 0 0 0 0
20 51 1 0 0 0 0
20 52 1 0 0 0 0
21 22 1 0 0 0 0
21 53 1 0 0 0 0
21 54 1 0 0 0 0
22 24 1 0 0 0 0
22 55 1 0 0 0 0
22 56 1 0 0 0 0
23 26 1 0 0 0 0
23 57 1 0 0 0 0
24 27 1 0 0 0 0
24 58 1 0 0 0 0
24 59 1 0 0 0 0
25 26 2 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 29 1 0 0 0 0
27 60 1 0 0 0 0
27 61 1 0 0 0 0
28 31 2 0 0 0 0
28 62 1 0 0 0 0
29 30 1 0 0 0 0
29 63 1 0 0 0 0
29 64 1 0 0 0 0
30 65 1 0 0 0 0
30 66 1 0 0 0 0
31 67 1 0 0 0 0
32 33 1 0 0 0 0
34 68 1 0 0 0 0
34 69 1 0 0 0 0
34 70 1 0 0 0 0
M END
$$$$