D0V1PW
-OEChem-09301911313D
51 54 0 1 0 0 0 0 0999 V2000
3.6392 1.7464 0.4734 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.9679 5.2631 -0.1916 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.7075 -3.6707 -0.1513 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.4772 -2.0131 1.2369 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.3335 -1.6634 -0.8987 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0797 1.9297 1.8447 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2151 2.5435 -0.5948 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9454 1.8426 0.4018 N 0 0 1 0 0 0 0 0 0 0 0 0
0.4882 -0.9469 0.6443 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9217 -0.9407 1.0148 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2055 -1.8216 -1.0039 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 -1.7493 0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1476 1.1135 -0.5184 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0507 0.4233 0.8392 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2846 1.5212 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1575 1.2349 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 2.2306 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8838 0.0449 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5154 1.9694 -0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7795 3.5162 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3782 -1.9992 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4586 2.9936 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7227 4.5406 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0577 -0.4773 -1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1813 -3.2557 0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0623 4.2793 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1165 -2.0523 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5091 -2.8126 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6772 -4.3244 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4168 -2.8156 -2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0495 -4.1070 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9759 -2.5430 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5058 0.4146 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8435 0.4384 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 0.6800 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3195 2.3835 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7357 2.0539 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7708 0.6195 2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4588 -1.0932 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8374 0.9715 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2497 3.7659 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5018 2.7904 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4152 5.5419 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0917 -0.0268 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2525 -3.4218 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 -3.0422 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2775 -5.3247 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4916 -2.9924 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8992 -3.7346 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 -2.4471 -2.9748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7194 -4.9401 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 8 1 0 0 0 0
1 18 1 0 0 0 0
2 26 1 0 0 0 0
3 32 1 0 0 0 0
4 32 1 0 0 0 0
5 32 1 0 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
9 14 1 0 0 0 0
9 21 1 0 0 0 0
9 39 1 0 0 0 0
10 18 1 0 0 0 0
10 27 2 0 0 0 0
11 24 1 0 0 0 0
11 27 1 0 0 0 0
11 30 1 0 0 0 0
12 21 1 0 0 0 0
12 28 2 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
13 33 1 0 0 0 0
14 16 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 24 2 0 0 0 0
19 22 1 0 0 0 0
19 40 1 0 0 0 0
20 23 2 0 0 0 0
20 41 1 0 0 0 0
21 25 2 0 0 0 0
22 26 2 0 0 0 0
22 42 1 0 0 0 0
23 26 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 29 1 0 0 0 0
25 45 1 0 0 0 0
27 46 1 0 0 0 0
28 31 1 0 0 0 0
28 32 1 0 0 0 0
29 31 2 0 0 0 0
29 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
31 51 1 0 0 0 0
M END
$$$$