ALIGN 21
1 1:C1y 1:C1y
2 2:C1y 2:C1y
3 3:C1y 3:C1y
4 4:C1x 4:C1x
5 5:C1z 5:C1z
6 6:C1x 6:C1x
7 7:C1z 7:C1z
8 8:C1x 8:C1x
9 9:C1x 9:C1x
10 10:C1y 10:C1y
11 11:C1x 11:C1x
12 12:C1a 12:C1a
13 13:C1x 13:C1x
14 14:C5x 14:C5x
15 15:C1a 15:C1a
16 16:C1x 16:C1x
17 17:C1x 17:C1x #M1
18 18:C1x 18:C1x #M1
19 19:O5x 19:O5x
20 20:C1y 20:C5x #R1
21 21:O1a 21:O5x #M1
ENTRY1
COMPOUND
C00523
ATOM 21
1 C1y C 23.4596 -16.8486
2 C1y C 22.2993 -16.1957
3 C1y C 24.6008 -16.1830
4 C1x C 23.4659 -18.1863
5 C1z C 21.1645 -16.8613
6 C1x C 22.2930 -14.8706
7 C1z C 24.5944 -14.8706
8 C1x C 26.9149 -16.1893
9 C1x C 22.3120 -18.8583
10 C1y C 21.1707 -18.1863
11 C1x C 20.0043 -16.2146
12 C1a C 21.1394 -15.2446
13 C1x C 23.4405 -14.2049
14 C5x C 25.7420 -14.1922
15 C1a C 24.5567 -13.2979
16 C1x C 26.9022 -14.8515
17 C1x C 20.0233 -18.8710
18 C1x C 18.8567 -16.8804
19 O5x O 25.7356 -12.8101
20 C1y C 18.8631 -18.2055
21 O1a O 17.4239 -18.9409
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 14 19 2
19 17 20 1
20 20 21 1 #Down
21 7 13 1
22 9 10 1
23 14 16 1
24 18 20 1
ENTRY2
COMPOUND
C00674
ATOM 21
1 C1y C 23.2278 -16.7832
2 C1y C 22.0504 -16.1086
3 C1y C 24.4114 -16.0964
4 C1x C 23.2401 -18.1445
5 C1z C 20.8791 -16.7894
6 C1x C 22.0383 -14.7412
7 C1z C 24.4176 -14.7290
8 C1x C 26.7786 -16.1026
9 C1x C 22.0566 -18.8193
10 C1y C 20.8791 -18.1385
11 C1x C 19.7079 -16.1271
12 C1a C 20.8731 -15.5077
13 C1x C 23.2218 -14.0482
14 C5x C 25.6011 -14.0420
15 C1a C 24.4114 -13.3920
16 C1x C 26.7786 -14.7350
17 C1x C 19.7079 -18.8193
18 C1x C 18.5550 -16.7894
19 O5x O 25.6073 -12.7114
20 C5x C 18.5550 -18.1385
21 O5x O 17.3960 -18.8008
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 10 17 1
17 11 18 1
18 14 19 2
19 17 20 1
20 20 21 2
21 7 13 1
22 9 10 1
23 14 16 1
24 18 20 1
