ATOM 46
1 C2c C 25.6607 -17.7436
2 C1c C 25.6607 -19.1300
3 C1b C 28.0660 -17.8136
4 C2b C 26.8703 -17.0540
5 C1c C 26.8670 -19.8208
6 C1c C 26.8622 -21.2037
7 C1b C 28.0565 -21.8955
8 C2b C 29.2495 -21.2056
9 C2b C 30.4351 -21.8996
10 C2b C 31.6284 -21.2197
11 C2b C 32.8086 -21.9144
12 C2b C 33.9999 -21.2410
13 C2b C 35.1830 -21.9367
14 C1c C 36.3763 -21.2706
15 C1b C 36.3935 -19.9015
16 C5a C 35.2156 -19.2078
17 N1b N 35.2399 -17.8448
18 C1b C 30.5275 -17.7514
19 C2y C 31.7201 -17.1023
20 C5x C 32.8716 -17.8090
21 C2y C 34.0620 -17.1696
22 C2x C 34.1009 -15.8162
23 C5x C 32.9493 -15.1026
24 C2x C 31.6889 -15.7489
25 C1a C 28.0667 -19.1240
26 C1a C 24.4613 -17.0534
27 O1a O 24.4624 -19.8289
28 O7a O 25.6531 -21.8891
29 O2a O 37.5672 -21.9752
30 O5a O 34.0007 -19.8902
31 O5x O 32.9020 -19.1946
32 O5x O 32.9890 -13.7168
33 C7a C 25.6396 -23.2751
34 C1c C 24.4333 -23.9599
35 O6a O 26.8394 -23.9834
36 N1b N 23.2404 -23.2516
37 C5a C 22.0339 -23.9366
38 C1y C 20.8410 -23.2283
39 O5a O 22.0204 -25.3231
40 C1a C 24.4198 -25.3464
41 C1x C 20.8557 -21.8448
42 C1x C 19.6628 -21.1436
43 C1x C 18.4563 -21.8215
44 C1x C 18.4428 -23.2078
45 C1x C 19.6358 -23.9162
46 C1a C 38.8021 -21.2795
BOND 48
1 23 24 1
2 24 19 2
3 3 18 1
4 5 6 1
5 5 25 1 #Up
6 6 7 1
7 1 26 1
8 7 8 1
9 2 27 1 #Up
10 12 13 2
11 6 28 1 #Down
12 13 14 1
13 14 29 1 #Up
14 14 15 1
15 15 16 1
16 16 30 2
17 3 4 1
18 20 31 2
19 4 1 2
20 23 32 2
21 16 17 1
22 28 33 1
23 17 21 1
24 33 34 1
25 8 9 2
26 33 35 2
27 19 18 1
28 34 36 1
29 9 10 1
30 36 37 1
31 38 37 1
32 1 2 1
33 37 39 2
34 10 11 2
35 34 40 1 #Up
36 11 12 1
37 2 5 1
38 19 20 1
39 20 21 1
40 21 22 2
41 38 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 45 38 1
47 22 23 1
48 29 46 1
| 
