L1HFJ4
-OEChem-05022323363D
47 49 0 1 0 0 0 0 0999 V2000
-3.3634 1.7077 0.9365 P 0 0 1 0 0 0 0 0 0 0 0 0
-3.6061 -0.4597 -0.7605 P 0 0 1 0 0 0 0 0 0 0 0 0
-2.5784 -3.1745 -0.2322 P 0 0 0 0 0 0 0 0 0 0 0 0
1.6331 2.3330 0.9723 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3208 3.1747 -1.9196 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9712 2.3563 0.4043 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2571 1.9787 2.5356 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5835 2.3619 0.3431 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6882 -2.0768 -0.6514 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2800 -0.2731 -1.6790 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8315 0.1241 -1.4117 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4215 -4.5531 -0.1976 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3052 -2.8603 1.3293 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 -3.1934 -1.1059 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4002 1.1362 -0.0582 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1148 -0.2753 -0.2888 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6450 -0.4397 0.5249 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2114 0.0707 0.7545 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4909 -2.7278 0.5948 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7768 -3.2671 0.1357 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 2.3984 -1.1098 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3904 2.7234 0.3670 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6609 2.3991 -0.0339 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9894 2.7454 -1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7577 1.9916 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9046 -0.1128 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7327 0.9834 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9822 -0.9714 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7412 -2.3253 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 -1.7741 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 1.3360 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2584 3.8049 0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3784 3.1736 0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4074 2.2237 -2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0889 3.8199 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7898 2.2576 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 0.9095 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2344 2.9666 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3694 1.8226 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4302 -0.3873 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5469 -2.1307 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3826 2.8934 2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7109 -2.9690 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5770 -4.2451 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3339 -0.4891 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9443 -5.3980 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5983 -3.3542 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
1 18 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
2 11 2 0 0 0 0
2 18 1 0 0 0 0
3 9 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
3 14 2 0 0 0 0
4 22 1 0 0 0 0
4 23 1 0 0 0 0
5 21 1 0 0 0 0
5 38 1 0 0 0 0
6 25 1 0 0 0 0
7 42 1 0 0 0 0
10 45 1 0 0 0 0
12 46 1 0 0 0 0
13 47 1 0 0 0 0
15 23 1 0 0 0 0
15 26 1 0 0 0 0
15 27 1 0 0 0 0
16 27 2 0 0 0 0
16 28 1 0 0 0 0
17 26 2 0 0 0 0
17 30 1 0 0 0 0
18 40 1 0 0 0 0
19 29 1 0 0 0 0
19 30 2 0 0 0 0
20 29 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 22 1 0 0 0 0
21 24 1 0 0 0 0
21 31 1 0 0 0 0
22 25 1 0 0 0 0
22 32 1 0 0 0 0
23 24 1 0 0 0 0
23 33 1 0 0 0 0
24 34 1 0 0 0 0
24 35 1 0 0 0 0
25 36 1 0 0 0 0
25 37 1 0 0 0 0
26 28 1 0 0 0 0
27 39 1 0 0 0 0
28 29 2 0 0 0 0
30 41 1 0 0 0 0
M END
$$$$