ALIGN 12
1 1:C1b 15:C1b
2 2:C1b 17:C1b
3 3:C1c 14:C1c #M1
4 4:C1b 20:C1b
5 5:C6a 16:C6a
6 6:N1a 11:N1b #R1
7 7:N1b 21:N1b
8 8:O6a 18:O6a
9 9:O6a 19:O6a
10 10:C2c 22:C2c
11 11:N1a 23:N1a
12 12:N2a 24:N2a
- * 8:C5a #D1
ENTRY1
COMPOUND
C00062
ATOM 12
1 C1b C -0.6034 0.1414
2 C1b C 0.1069 -0.2828
3 C1c C -1.3310 -0.2621
4 C1b C 0.8310 0.1207
5 C6a C -2.0069 0.1793
6 N1a N -1.3035 -1.0897
7 N1b N 1.5448 -0.3000
8 O6a O -2.7310 -0.2241
9 O6a O -2.0345 1.0103
10 C2c C 2.2690 0.1000
11 N1a N 2.9793 -0.3207
12 N2a N 2.2793 0.9310
BOND 11
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1
7 5 8 1
8 5 9 2
9 7 10 1
10 10 11 1
11 10 12 2
ENTRY2
COMPOUND
C02993
ATOM 24
1 C8y C 15.8791 -17.3770
2 C1b C 17.0444 -16.7040
3 C8x C 15.8791 -18.7357
4 C8x C 14.7011 -16.7040
5 C1c C 18.0850 -17.5890
6 C8x C 14.7011 -19.4212
7 C8x C 13.5358 -17.3770
8 C5a C 19.3625 -17.0703
9 N1a N 18.0913 -18.9974
10 C8y C 13.5358 -18.7294
11 N1b N 20.9493 -18.0080
12 O5a O 19.3938 -15.8317
13 O1a O 12.3581 -19.4212
14 C1c C 22.2230 -17.1652
15 C1b C 22.2044 -15.6446
16 C6a C 23.2949 -17.9754
17 C1b C 21.1573 -14.9902
18 O6a O 23.3213 -19.3276
19 O6a O 24.4166 -17.2401
20 C1b C 21.5561 -13.7066
21 N1b N 20.3659 -12.4415
22 C2c C 20.9954 -11.2325
23 N1a N 20.3099 -10.1170
24 N2a N 22.4847 -11.2311
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 1 #Up
9 6 10 1
10 8 11 1
11 8 12 2
12 10 13 1
13 14 11 1 #Up
14 14 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 16 19 2
19 17 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 22 24 2
24 7 10 2
