ALIGN 18
1 1:C1y 28:C1y
2 2:O2x 29:O2x
3 3:C1y 30:C1y
4 4:C1c 31:C1c
5 5:C1y 32:C1y
6 6:C1y 33:C1y
7 7:O1a 34:O1a
8 8:C1y 36:C1y
9 9:O2b 26:O2b
10 10:O1a 37:O1a
11 11:O1a 38:O1a
12 12:P1b 24:P1b #M1
13 13:O1c 21:O2c #R1
14 14:O1c 25:O1c
15 15:O1c 27:O1c
16 16:O1a 35:O1a
17 17:C1b 39:C1b
18 18:O1a 40:O1a
- * 20:P1b #D1
ENTRY1
COMPOUND
C19880
ATOM 18
1 C1y C 24.6371 -20.8957
2 O2x O 25.8191 -20.1410
3 C1y C 24.6255 -22.2939
4 C1c C 23.3208 -20.2404
5 C1y C 27.0010 -20.8603
6 C1y C 25.8601 -22.9492
7 O1a O 23.4378 -23.0429
8 C1y C 27.0477 -22.1945
9 O2b O 28.1943 -20.0356
10 O1a O 25.9186 -24.3476
11 O1a O 28.2939 -22.8498
12 P1b P 29.3588 -19.2751
13 O1c O 30.5348 -18.5145
14 O1c O 30.1193 -20.4510
15 O1c O 28.5921 -18.1049
16 O1a O 22.1384 -20.9659
17 C1b C 23.3208 -18.8377
18 O1a O 22.1405 -18.1567
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 5 8 1
8 5 9 1 #Down
9 6 10 1 #Up
10 8 11 1 #Up
11 9 12 1
12 12 13 1
13 12 14 1
14 12 15 2
15 6 8 1
16 4 16 1 #Down
17 4 17 1
18 17 18 1
ENTRY2
COMPOUND
C19881
ATOM 41
1 N4y N 32.6866 -19.3093
2 C8y C 33.7525 -20.0492
3 C1y C 31.3993 -19.7288
4 C8x C 33.1644 -17.9114
5 C8y C 34.9875 -19.1404
6 N5x N 33.8864 -21.4763
7 O2x O 30.2577 -18.8784
8 C1y C 30.9624 -20.9869
9 N5x N 34.6147 -17.9173
10 C8y C 36.2456 -19.6997
11 C8y C 35.2145 -22.0646
12 C1y C 29.1509 -19.6705
13 C1y C 29.5820 -20.9869
14 O1a O 31.7721 -22.1229
15 N4x N 36.4028 -21.1851
16 O5x O 37.3523 -18.8725
17 C1b C 27.8286 -19.2396
18 O1a O 29.1334 -22.3034
19 O2b O 26.7918 -20.1715
20 P1b P 25.3941 -20.1715
21 O2c O 24.0018 -20.1715
22 O1c O 25.3882 -21.5635
23 O1c O 25.3882 -18.7793
24 P1b P 22.6098 -20.1656
25 O1c O 22.6039 -21.5578
26 O2b O 21.2175 -20.1656
27 O1c O 22.6039 -18.7676
28 C1y C 17.6494 -21.0093
29 O2x O 18.8675 -20.3272
30 C1y C 17.6272 -22.4025
31 C1c C 16.4484 -20.2864
32 C1y C 20.0746 -21.0446
33 C1y C 18.8165 -23.1247
34 O1a O 16.4036 -23.0786
35 O1a O 15.2305 -20.9686
36 C1y C 20.1104 -22.4429
37 O1a O 18.8643 -24.5180
38 O1a O 21.3167 -22.9673
39 C1b C 16.4484 -18.8869
40 O1a O 15.2373 -18.1876
41 N1a N 35.3666 -23.4412
BOND 44
1 8 14 1 #Down
2 10 15 1
3 10 16 2
4 12 17 1 #Up
5 13 18 1 #Down
6 17 19 1
7 19 20 1
8 20 21 1
9 20 22 1
10 20 23 2
11 21 24 1
12 24 25 1
13 24 26 1
14 24 27 2
15 5 9 1
16 11 15 1
17 12 13 1
18 1 2 1
19 3 1 1 #Up
20 1 4 1
21 2 5 2
22 2 6 1
23 3 7 1
24 3 8 1
25 4 9 2
26 5 10 1
27 6 11 2
28 7 12 1
29 8 13 1
30 28 29 1
31 28 30 1
32 28 31 1 #Up
33 29 32 1
34 30 33 1
35 30 34 1 #Down
36 31 35 1 #Down
37 32 36 1
38 32 26 1 #Down
39 33 37 1 #Up
40 36 38 1 #Up
41 33 36 1
42 31 39 1
43 39 40 1
44 11 41 1
