D01MAC
-OEChem-10101305022D
38 39 0 1 0 0 0 0 0999 V2000
6.1705 -1.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0678 -0.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3785 -2.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2142 0.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6676 -4.0745 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
10.0248 -2.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3570 -3.1240 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.5743 1.7566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1216 -0.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1216 -1.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1705 -0.3535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0678 -1.9672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5827 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6514 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8834 0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5962 1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 3.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1227 0.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1227 -2.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6089 0.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6803 -2.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1220 -0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1220 -1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1123 -1.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1123 -0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9892 2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 1.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5745 1.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9011 3.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3088 3.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 3.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 2.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5897 4.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 4.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 3.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 14 1 0 0 0 0
2 10 1 0 0 0 0
2 15 1 0 0 0 0
12 3 1 6 0 0 0
3 16 1 0 0 0 0
4 8 1 0 0 0 0
13 4 1 1 0 0 0
5 16 2 0 0 0 0
6 8 1 0 0 0 0
7 8 2 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 21 1 6 0 0 0
11 13 1 0 0 0 0
11 22 1 6 0 0 0
12 14 1 0 0 0 0
12 23 1 0 0 0 0
13 15 1 0 0 0 0
13 24 1 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
15 28 1 0 0 0 0
17 18 1 0 0 0 0
17 30 1 0 0 0 0
17 31 1 0 0 0 0
18 19 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 20 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
M CHG 2 6 -1 8 1
M END
$$$$