ALIGN 13
1 1:C1c 1:C1c
2 2:C1b 2:C1b
3 3:C1b 3:C1b
4 4:S1a 4:S1a
5 5:C1b 5:C1b
6 6:C1b 6:C1b #M1
7 7:C1b 7:C1b
8 8:S1a 8:S2a #R1
9 9:C1b 9:C1b
10 10:C5a 10:C5a
11 11:O5a 11:O5a
12 12:N1b 12:N1b
13 13:R 13:R
- * 14:C5a #D1
ENTRY1
COMPOUND
C15973
ATOM 13
1 C1c C 32.6876 -17.9081
2 C1b C 33.8897 -18.6085
3 C1b C 31.4853 -18.6085
4 S1a S 32.6876 -16.5249
5 C1b C 35.0921 -17.9081
6 C1b C 30.2832 -17.9081
7 C1b C 36.3000 -18.6085
8 S1a S 30.2832 -16.5249
9 C1b C 37.4963 -17.9081
10 C5a C 38.6985 -18.6085
11 O5a O 38.6985 -19.9915
12 N1b N 40.0525 -17.9373
13 R R 41.4525 -17.9373
BOND 12
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 9 10 1
10 10 11 2
11 10 12 1
12 12 13 1
ENTRY2
COMPOUND
C15979
ATOM 19
1 C1c C 33.5961 -22.3741
2 C1b C 34.7885 -23.0755
3 C1b C 32.4038 -23.0755
4 S1a S 33.5961 -20.9713
5 C1b C 35.9808 -22.3741
6 C1b C 31.2114 -22.3741
7 C1b C 37.2433 -23.0755
8 S2a S 31.2114 -20.9713
9 C1b C 38.4356 -22.3741
10 C5a C 39.6280 -23.0755
11 O5a O 39.6280 -24.4782
12 N1b N 40.9606 -22.3741
13 R R 42.3633 -22.3741
14 C5a C 30.0191 -20.2699
15 C1c C 28.8268 -20.9713
16 C1b C 27.6344 -20.2699
17 O5a O 30.0191 -18.8672
18 C1a C 26.4421 -20.9713
19 C1a C 28.8265 -22.3999
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 9 10 1
10 10 11 2
11 10 12 1
12 12 13 1
13 8 14 1
14 14 15 1
15 15 16 1
16 14 17 2
17 16 18 1
18 15 19 1 #Up
