ATOM 33
1 C8y C 26.1897 -21.7680
2 C8y C 26.1838 -23.1595
3 C8y C 24.9912 -21.0782
4 O2x O 27.3999 -21.0841
5 C8y C 27.3882 -23.8671
6 C8y C 24.9912 -23.8611
7 O2a O 24.9795 -19.6634
8 C8y C 23.7809 -21.7680
9 C8y C 28.6042 -21.7797
10 C8y C 28.5985 -23.1712
11 O5x O 27.3823 -25.2585
12 C8x C 23.7809 -23.1595
13 O1a O 24.9912 -25.2526
14 C1y C 24.9444 -17.9854
15 O1a O 22.5765 -21.0782
16 C8y C 29.8145 -21.0899
17 O1a O 29.8028 -23.8728
18 C1y C 26.1429 -17.2898
19 O2x O 23.7399 -17.3013
20 C8x C 29.8145 -19.7043
21 C8x C 31.0130 -21.7914
22 C1y C 26.1370 -15.8983
23 O1a O 27.3531 -17.9797
24 C1y C 23.7282 -15.9100
25 C8y C 31.0247 -19.0085
26 C8x C 32.2173 -21.1075
27 C1y C 24.9327 -15.2025
28 O1a O 27.3414 -15.1908
29 C1a C 22.5180 -15.2201
30 C8y C 32.2232 -19.7160
31 O1a O 31.0305 -17.6172
32 O1a O 24.9210 -13.8110
33 O1a O 33.4335 -19.0202
BOND 36
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 2
12 6 13 1
13 14 7 1 #Down
14 8 15 1
15 9 16 1
16 10 17 1
17 14 18 1
18 14 19 1
19 16 20 1
20 16 21 2
21 18 22 1
22 18 23 1 #Up
23 19 24 1
24 20 25 2
25 21 26 1
26 22 27 1
27 22 28 1 #Up
28 24 29 1 #Up
29 25 30 1
30 25 31 1
31 27 32 1 #Down
32 30 33 1
33 8 12 1
34 9 10 2
35 24 27 1
36 26 30 2
|