D07UJV
-OEChem-04152111053D
51 55 0 1 0 0 0 0 0999 V2000
1.9357 -3.4090 0.3133 S 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 0.2205 -1.4202 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 -2.0843 0.0286 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0298 1.6042 0.1661 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3809 -3.8402 -1.0109 O 0 5 0 0 0 0 0 0 0 0 0 0
1.0027 -4.3312 0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0064 -2.9332 1.1881 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 3.6975 -0.7124 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8836 1.2461 0.0388 N 0 3 1 0 0 0 0 0 0 0 0 0
-1.3377 0.0766 -0.8168 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4420 -0.7854 -0.2059 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2046 0.0962 0.8123 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1895 -0.6293 -1.5681 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0023 1.1984 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4985 0.6964 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9266 -2.1060 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9590 2.0704 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3113 0.7036 1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1346 -2.0709 -1.0957 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1144 -2.8538 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9153 1.0634 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8026 0.8343 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1247 0.8093 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0328 1.6784 2.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7493 1.4520 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3494 1.8864 1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2840 2.8189 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7225 2.8907 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1322 -1.0789 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0222 -0.4623 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4347 -0.6738 -2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5547 0.7441 -2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2493 1.8519 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2370 1.8928 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7798 -2.7252 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3204 -1.9493 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4135 2.7414 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5771 2.7001 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2152 -0.0522 2.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7973 1.5782 2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -2.5688 -1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8841 -3.8560 -0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7422 -2.9983 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8396 0.1941 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7593 0.2528 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6483 1.7097 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2297 1.9901 3.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 2.3667 2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3665 2.8299 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9071 3.8443 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9442 2.0785 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 1 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
2 13 1 0 0 0 0
2 22 1 0 0 0 0
3 19 1 0 0 0 0
4 25 1 0 0 0 0
4 27 1 0 0 0 0
8 27 2 0 0 0 0
9 12 1 0 0 0 0
9 17 1 0 0 0 0
9 23 1 0 0 0 0
9 34 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 0 0 0 0
10 15 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 0 0 0 0
11 29 1 0 0 0 0
12 18 1 0 0 0 0
12 30 1 0 0 0 0
13 19 1 0 0 0 0
13 31 1 0 0 0 0
14 17 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 21 2 0 0 0 0
15 22 1 0 0 0 0
16 20 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 21 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 20 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
21 24 1 0 0 0 0
22 25 2 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
24 26 2 0 0 0 0
24 47 1 0 0 0 0
25 26 1 0 0 0 0
26 48 1 0 0 0 0
27 28 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$