ALIGN 4
1 27:P1b 1:P1b #R1
2 28:O1c 3:O1c #M1
3 29:O1c 4:O1c #M1
4 30:O1c 5:O1c #M1
- 24:O2c * #D1
- * 2:O2b #D1
ENTRY1
COMPOUND
C00131
ATOM 30
1 N4y N 27.1598 -15.3543
2 C8y C 28.2258 -16.0943
3 C1y C 25.6624 -15.8438
4 C8x C 27.6374 -13.9563
5 C8y C 29.4607 -15.1854
6 N5x N 28.3598 -17.5214
7 O2x O 24.5206 -14.9932
8 C1x C 25.2256 -17.1020
9 N5x N 29.0879 -13.9622
10 C8y C 30.7191 -15.7447
11 C8x C 29.6879 -18.1098
12 C1y C 23.4139 -15.7855
13 C1y C 23.8449 -17.1020
14 N5x N 30.9463 -17.3001
15 N1a N 31.8257 -14.9175
16 C1b C 22.0916 -15.3544
17 O1a O 23.3964 -18.4185
18 O2b O 21.0489 -16.2923
19 P1b P 19.6508 -16.2923
20 O2c O 18.2585 -16.2923
21 O1c O 19.6449 -17.6846
22 O1c O 19.6449 -14.9001
23 P1b P 16.8663 -16.2866
24 O2c O 15.4742 -16.2866
25 O1c O 16.8606 -17.6787
26 O1c O 16.8606 -14.8942
27 P1b P 14.0761 -16.2806
28 O1c O 14.0702 -17.6730
29 O1c O 12.6838 -16.2690
30 O1c O 14.0702 -14.8826
BOND 32
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 10 14 2
14 10 15 1
15 12 16 1 #Up
16 13 17 1 #Down
17 16 18 1
18 18 19 1
19 19 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 23 24 1
24 23 25 1
25 23 26 2
26 24 27 1
27 27 28 1
28 27 29 1
29 27 30 2
30 5 9 1
31 11 14 1
32 12 13 1
ENTRY2
COMPOUND
C00275
ATOM 16
1 P1b P 24.2238 -20.4311
2 O2b O 25.6227 -20.4374
3 O1c O 22.8251 -20.4311
4 O1c O 24.2238 -18.9689
5 O1c O 24.2112 -21.8299
6 C1b C 26.6941 -19.5392
7 C1y C 27.8876 -20.2322
8 C1y C 27.8876 -21.6246
9 O2x O 29.1002 -19.5392
10 C1y C 29.1002 -22.3304
11 O1a O 26.6941 -22.3304
12 C1y C 30.3193 -20.2322
13 C1y C 30.3193 -21.6246
14 O1a O 29.1002 -23.7227
15 O1a O 31.5257 -19.5392
16 O1a O 31.5257 -22.3304
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 7 6 1 #Up
7 7 8 1
8 7 9 1
9 8 10 1
10 8 11 1 #Down
11 9 12 1
12 10 13 1
13 10 14 1 #Up
14 12 15 1 #Either
15 13 16 1 #Up
16 12 13 1