ALIGN 20
1 19:N1b 17:N1a #R1
2 21:C1c 16:C1c #M1
3 22:C6a 18:C6a
4 23:C1b 14:C1b
5 24:C5a 13:C5a
6 25:O6a 20:O6a
7 26:O6a 19:O6a
8 27:O5a 15:O5a
9 28:N1b 11:N1b
10 29:N1a 9:N1a
11 30:C2c 8:C2c
12 31:N1b 7:N1b
13 32:C1b 6:C1b
14 33:C1b 5:C1b
15 34:C1b 4:C1b
16 35:C1c 3:C1c
17 36:C6a 2:C6a
18 37:O6a 1:O6a
19 38:N2a 10:N2a
20 39:O6a 12:O6a
- 18:C5a * #D1
ENTRY1
COMPOUND
C19713
ATOM 39
1 O6a O 23.3800 -15.6800
2 C6a C 24.5700 -14.9800
3 C1c C 25.7600 -15.6800
4 C1b C 27.0200 -14.9800
5 C1b C 28.2100 -15.6800
6 C1b C 29.4000 -14.9800
7 N1b N 30.6600 -15.6800
8 C2c C 31.8500 -14.9800
9 N1a N 33.0400 -15.6800
10 N2a N 31.8500 -13.5800
11 N1b N 25.7600 -17.0800
12 O6a O 24.5700 -13.5800
13 C5a C 25.7600 -18.4800
14 C1b C 24.5700 -19.1800
15 O5a O 26.9500 -19.1800
16 C1c C 24.5700 -20.5800
17 N1a N 23.3800 -21.2800
18 C5a C 25.7600 -21.2800
19 N1b N 27.6500 -20.5800
20 O5a O 25.7600 -22.6800
21 C1c C 28.8400 -21.2800
22 C6a C 30.0300 -20.5800
23 C1b C 28.8400 -22.6800
24 C5a C 30.0300 -23.3800
25 O6a O 31.2200 -21.2800
26 O6a O 30.0300 -19.1800
27 O5a O 31.2200 -22.6800
28 N1b N 30.0300 -24.7800
29 N1a N 22.7500 -26.1800
30 C2c C 24.0100 -26.8800
31 N1b N 25.2000 -26.1800
32 C1b C 26.3900 -26.8800
33 C1b C 27.6500 -26.1800
34 C1b C 28.8400 -26.8800
35 C1c C 30.0300 -26.1800
36 C6a C 31.2900 -26.8800
37 O6a O 32.4800 -26.1800
38 N2a N 24.0100 -28.2800
39 O6a O 31.2900 -28.2800
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 8 10 2
10 3 11 1 #Down
11 2 12 2
12 11 13 1
13 13 14 1
14 13 15 2
15 14 16 1
16 16 17 1
17 16 18 1
18 18 19 1
19 18 20 2
20 19 21 1
21 21 22 1
22 21 23 1
23 23 24 1
24 22 25 1
25 22 26 2
26 24 27 2
27 24 28 1
28 29 30 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 30 38 2
37 35 28 1 #Down
38 36 39 2
ENTRY2
COMPOUND
C19843
ATOM 20
1 O6a O 17.0800 -15.2600
2 C6a C 18.2700 -14.5600
3 C1c C 19.4600 -15.2600
4 C1b C 20.7200 -14.5600
5 C1b C 21.9100 -15.2600
6 C1b C 23.1000 -14.5600
7 N1b N 24.3600 -15.2600
8 C2c C 25.5500 -14.5600
9 N1a N 26.7400 -15.2600
10 N2a N 25.5500 -13.1600
11 N1b N 19.4600 -16.6600
12 O6a O 18.2700 -13.1600
13 C5a C 19.4600 -18.0600
14 C1b C 18.2476 -18.7600
15 O5a O 20.6724 -18.7600
16 C1c C 18.2475 -20.1598
17 N1a N 17.0519 -20.8501
18 C6a C 19.4768 -20.8697
19 O6a O 19.4765 -22.2599
20 O6a O 20.6808 -20.1747
BOND 19
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 8 10 2
10 3 11 1 #Down
11 2 12 2
12 11 13 1
13 13 14 1
14 13 15 2
15 14 16 1
16 16 17 1 #Up
17 16 18 1
18 18 19 2
19 18 20 1
