ATOM 49
1 C1z C 22.9100 -18.4166
2 C1y C 22.9100 -19.7307
3 C1y C 22.8924 -17.1083
4 C1y C 23.8619 -17.6632
5 C1y C 21.7828 -17.7624
6 C1z C 21.7828 -20.3907
7 C1y C 23.9029 -20.5193
8 C1y C 25.1354 -20.2214
9 N1y N 21.3038 -19.1583
10 C1y C 25.0710 -17.9318
11 C1x C 23.7510 -16.4248
12 C1x C 20.6437 -18.4166
13 O2a O 21.7828 -16.4482
14 C1x C 21.2453 -21.5239
15 C1y C 20.6437 -19.7307
16 C1b C 22.2967 -21.5239
17 O2a O 23.6226 -21.7983
18 C1z C 25.6609 -19.0240
19 C1b C 20.1648 -18.5042
20 C1y C 25.7019 -16.8745
21 C1z C 24.8899 -15.9400
22 C1a C 20.6496 -15.7883
23 O1a O 19.5047 -20.3907
24 O2a O 22.3550 -22.8322
25 C1a C 24.9479 -22.6803
26 C1x C 27.1854 -18.3114
27 O7a O 26.7882 -19.6724
28 C1a C 19.0376 -19.1583
29 O7a O 27.9388 -15.7590
30 C1y C 26.1283 -15.9343
31 O1a O 24.8845 -14.7252
32 C1a C 21.0587 -23.4746
33 C7a C 26.7882 -20.9865
34 C7a C 29.0135 -16.3723
35 O2a O 26.8993 -14.8070
36 C1a C 27.9330 -21.6465
37 O6a O 25.6493 -21.6406
38 C8y C 30.0708 -15.7590
39 O6a O 29.0135 -17.6105
40 C1a C 26.3912 -13.5280
41 C8x C 30.0708 -14.5325
42 C8x C 31.1396 -16.3723
43 C8y C 31.1396 -13.9134
44 C8x C 32.2143 -15.7590
45 C8y C 32.2084 -14.5325
46 O2a O 31.1339 -12.6867
47 O2a O 33.2598 -13.9134
48 C1a C 32.4067 -12.0793
49 C1a C 34.5271 -14.5325
BOND 55
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 8 3 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 7 17 1 #Down
17 8 18 1
18 9 19 1
19 10 20 1
20 11 21 1
21 13 22 1
22 15 23 1 #Down
23 16 24 1
24 17 25 1
25 18 26 1
26 18 27 1 #Up
27 19 28 1
28 20 29 1 #Down
29 21 30 1
30 21 31 1 #Up
31 24 32 1
32 27 33 1
33 29 34 1
34 30 35 1 #Up
35 33 36 1
36 33 37 2
37 34 38 1
38 34 39 2
39 35 40 1
40 38 41 1
41 38 42 2
42 41 43 2
43 42 44 1
44 43 45 1
45 43 46 1
46 45 47 1
47 46 48 1
48 47 49 1
49 7 8 1
50 9 14 1
51 10 18 1
52 12 15 1
53 20 21 1
54 26 30 1
55 44 45 2
| 
