ALIGN 4
1 1:P1b 17:P1b #R1
2 3:O1c 18:O1c #M1
3 4:O1c 19:O1c #M1
4 5:O1c 20:O1c #M1
- 2:O1c * #D1
- * 14:O2c #D1
ENTRY1
COMPOUND
C00009
ATOM 5
1 P1b P 27.1282 -21.2572
2 O1c O 25.9971 -21.9011
3 O1c O 28.4489 -21.8360
4 O1c O 27.4637 -22.7728
5 O1c O 27.1282 -19.9529
BOND 4
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
ENTRY2
COMPOUND
C00063
ATOM 29
1 C1y C 29.4209 -15.6738
2 O2x O 28.3291 -14.8682
3 C1y C 29.0121 -17.0461
4 C1y C 27.1905 -15.7089
5 C1y C 27.6108 -17.0461
6 C1b C 25.8533 -15.2769
7 O1a O 26.7758 -18.1672
8 O2b O 24.8198 -16.2111
9 P1b P 23.4242 -16.2111
10 O2c O 22.0287 -16.2111
11 O1c O 23.4185 -17.6125
12 O1c O 23.4185 -14.8155
13 P1b P 20.6274 -16.2052
14 O2c O 19.2319 -16.2052
15 O1c O 20.6216 -17.6008
16 O1c O 20.6216 -14.8097
17 P1b P 17.8363 -16.1994
18 O1c O 17.8305 -17.5949
19 O1c O 16.4408 -16.1935
20 O1c O 17.8305 -14.8038
21 N4y N 30.7619 -15.2316
22 C8y C 31.9081 -15.9375
23 C8x C 30.7056 -13.8345
24 N5x N 33.1312 -15.2418
25 O5x O 31.9071 -17.3379
26 C8x C 31.9148 -13.1295
27 C8y C 33.1367 -13.8344
28 N1a N 34.3551 -13.1455
29 O1a O 29.8534 -18.1742
BOND 30
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1 #Up
6 5 7 1 #Down
7 6 8 1
8 8 9 1
9 9 10 1
10 9 11 1
11 9 12 2
12 10 13 1
13 13 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 17 18 1
18 17 19 1
19 17 20 2
20 4 5 1
21 21 22 1
22 21 23 1
23 22 24 1
24 22 25 2
25 23 26 2
26 24 27 2
27 27 28 1
28 26 27 1
29 1 21 1 #Up
30 3 29 1 #Down
