0 mol 5 unq 0 iso 0 dist 7.89217 6.81899 9.39982 7.19651 6.99733 12.3464 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.89217 9.22198 6.78181 7.19651 6.99733 11.2638 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.89217 8.91509 7.02829 7.19651 6.99733 12.5515 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 9.20106 8.73304 4.64398 8.67997 7.76514 11.2402 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.05939 9.38747 5.89728 10.5266 8.24422 8.99724 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 9.38747 9.05939 5.89728 10.5266 8.99724 8.24422 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 8.24422 8.99724 5.89728 10.5266 9.05939 9.38747 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 8.99724 8.24422 5.89728 10.5266 9.38747 9.05939 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 6.59376 8.18794 4.83516 4.04985 7.98327 11.2369 numMergedOcc 0
9 mol 32 unq 0 iso 0 dist 7.13608 4.95327 5.07181 13.7123 9.46895 13.182 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 5.45684 7.66372 4.78627 5.8441 7.76644 9.99743 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 7.76644 9.99743 4.78627 5.8441 5.45684 7.66372 numMergedOcc 0
12 mol 64 unq 2 iso 0 dist 7.66372 5.45684 4.78627 5.8441 9.99743 7.76644 numMergedOcc 0
13 mol 64 unq 3 iso 0 dist 9.99743 7.76644 4.78627 5.8441 7.66372 5.45684 numMergedOcc 0
14 mol 71 unq 0 iso 0 dist 6.14513 7.4392 4.86089 3.843 7.12853 9.1134 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.7939 6.85356 4.56026 12.5626 8.44695 11.9229 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.7939 6.85356 4.56026 12.3241 5.68894 7.32265 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 6.85356 6.7939 4.56026 12.3241 7.32265 5.68894 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 5.68894 7.32265 4.56026 12.3241 6.7939 6.85356 numMergedOcc 0
19 mol 73 unq 4 iso 0 dist 5.68894 7.32265 4.56026 9.3197 8.44695 11.9229 numMergedOcc 0
20 mol 73 unq 5 iso 0 dist 7.32265 5.68894 4.56026 12.3241 6.85356 6.7939 numMergedOcc 0
21 mol 76 unq 0 iso 0 dist 9.52666 5.37449 7.53933 8.15383 9.225 11.0609 numMergedOcc 0
22 mol 96 unq 0 iso 0 dist 9.579 9.06717 6.20878 6.42012 7.96523 11.2264 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 6.62952 7.88143 8.21408 5.4823 4.3521 10.5625 numMergedOcc 0
24 mol 99 unq 0 iso 0 dist 9.39801 4.82346 9.73996 4.8794 6.02154 8.07233 numMergedOcc 0
25 mol 99 unq 1 iso 0 dist 9.39801 8.89165 10.6378 4.8794 6.02154 11.2111 numMergedOcc 0
26 mol 99 unq 2 iso 0 dist 6.02154 8.07233 9.73996 4.8794 9.39801 4.82346 numMergedOcc 0
27 mol 99 unq 3 iso 0 dist 4.82346 9.39801 9.73996 4.8794 8.07233 6.02154 numMergedOcc 0
28 mol 99 unq 4 iso 0 dist 4.82346 8.89165 4.41001 4.8794 8.07233 11.2111 numMergedOcc 0
29 mol 99 unq 5 iso 0 dist 8.07233 6.02154 9.73996 4.8794 4.82346 9.39801 numMergedOcc 0
30 mol 151 unq 0 iso 0 dist 5.89468 7.93343 4.78271 8.30648 9.79321 10.3029 numMergedOcc 0
31 mol 162 unq 0 iso 0 dist 7.08934 8.87346 4.82565 6.25764 9.43135 13.17 numMergedOcc 0
32 mol 172 unq 0 iso 0 dist 7.44084 9.21942 13.7364 5.65773 5.28889 14.3342 numMergedOcc 0
33 mol 172 unq 1 iso 0 dist 7.44084 7.77643 10.1227 5.65773 5.28889 4.90175 numMergedOcc 0
34 mol 172 unq 2 iso 0 dist 7.77643 9.21942 16.193 5.65773 4.90175 14.3342 numMergedOcc 0
35 mol 172 unq 3 iso 0 dist 7.77643 7.44084 10.1227 5.65773 4.90175 5.28889 numMergedOcc 0
36 mol 172 unq 4 iso 0 dist 5.28889 4.90175 10.1227 5.65773 7.44084 7.77643 numMergedOcc 0
37 mol 172 unq 5 iso 0 dist 4.90175 5.28889 10.1227 5.65773 7.77643 7.44084 numMergedOcc 0
38 mol 209 unq 0 iso 0 dist 6.74526 8.12326 5.00665 5.1282 8.68691 7.37014 numMergedOcc 0
39 mol 209 unq 1 iso 0 dist 8.12326 6.74526 5.00665 5.1282 7.37014 8.68691 numMergedOcc 0
40 mol 209 unq 2 iso 0 dist 8.12326 6.74526 5.00665 9.5473 8.20431 11.8578 numMergedOcc 0
41 mol 209 unq 3 iso 0 dist 8.68691 7.37014 5.00665 5.1282 6.74526 8.12326 numMergedOcc 0
42 mol 209 unq 4 iso 0 dist 7.37014 8.68691 5.00665 5.1282 8.12326 6.74526 numMergedOcc 0
43 mol 209 unq 5 iso 0 dist 7.37014 8.68691 5.00665 5.35106 8.20431 11.8578 numMergedOcc 0
44 mol 209 unq 6 iso 0 dist 8.20431 8.8886 8.77944 9.5473 8.12326 12.3462 numMergedOcc 0
45 mol 209 unq 7 iso 0 dist 8.20431 8.8886 8.77944 5.35106 7.37014 11.6012 numMergedOcc 0
46 mol 209 unq 8 iso 0 dist 8.8886 8.20431 8.77944 6.11542 8.78565 12.5799 numMergedOcc 0
47 mol 220 unq 0 iso 0 dist 8.08702 9.57625 11.0459 10.3111 9.984 12.5698 numMergedOcc 0
48 mol 223 unq 0 iso 0 dist 7.76053 7.96628 4.71901 7.55127 9.65728 12.8908 numMergedOcc 0
49 mol 261 unq 0 iso 0 dist 6.99444 8.25759 5.29945 10.4134 9.38192 13.3884 numMergedOcc 0
50 mol 273 unq 0 iso 0 dist 7.84151 7.85797 12.9925 6.91672 7.346 13.6755 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 9.30394 8.5458 8.60638 6.60063 5.84467 8.56533 numMergedOcc 0
52 mol 287 unq 1 iso 0 dist 9.30394 8.47385 12.7579 6.60063 5.84467 11.0668 numMergedOcc 0
53 mol 287 unq 2 iso 0 dist 9.30394 8.44356 17.1913 6.60063 5.84467 14.3617 numMergedOcc 0
54 mol 287 unq 3 iso 0 dist 5.84467 8.56533 8.60638 6.60063 9.30394 8.5458 numMergedOcc 0
55 mol 287 unq 4 iso 0 dist 8.5458 9.30394 8.60638 6.60063 8.56533 5.84467 numMergedOcc 0
56 mol 287 unq 5 iso 0 dist 8.5458 8.47385 4.9954 6.60063 8.56533 11.0668 numMergedOcc 0
57 mol 287 unq 6 iso 0 dist 8.5458 8.44356 12.5806 6.60063 8.56533 14.3617 numMergedOcc 0
58 mol 287 unq 7 iso 0 dist 8.56533 5.84467 8.60638 6.60063 8.5458 9.30394 numMergedOcc 0
59 mol 288 unq 0 iso 0 dist 9.30394 8.5458 8.60638 6.60063 5.84467 8.56533 numMergedOcc 0
60 mol 288 unq 1 iso 0 dist 9.30394 8.47385 12.7579 6.60063 5.84467 11.0668 numMergedOcc 0
61 mol 288 unq 2 iso 0 dist 9.30394 8.44356 17.1913 6.60063 5.84467 14.3617 numMergedOcc 0
62 mol 288 unq 3 iso 0 dist 5.84467 8.56533 8.60638 6.60063 9.30394 8.5458 numMergedOcc 0
63 mol 288 unq 4 iso 0 dist 8.5458 9.30394 8.60638 6.60063 8.56533 5.84467 numMergedOcc 0
64 mol 288 unq 5 iso 0 dist 8.5458 8.47385 4.9954 6.60063 8.56533 11.0668 numMergedOcc 0
65 mol 288 unq 6 iso 0 dist 8.5458 8.44356 12.5806 6.60063 8.56533 14.3617 numMergedOcc 0
66 mol 288 unq 7 iso 0 dist 8.56533 5.84467 8.60638 6.60063 8.5458 9.30394 numMergedOcc 0
67 mol 289 unq 0 iso 0 dist 9.30394 8.5458 8.60638 6.60063 5.84467 8.56533 numMergedOcc 0
68 mol 289 unq 1 iso 0 dist 9.30394 8.47385 12.7579 6.60063 5.84467 11.0668 numMergedOcc 0
69 mol 289 unq 2 iso 0 dist 9.30394 8.44356 17.1913 6.60063 5.84467 14.3617 numMergedOcc 0
70 mol 289 unq 3 iso 0 dist 5.84467 8.56533 8.60638 6.60063 9.30394 8.5458 numMergedOcc 0
71 mol 289 unq 4 iso 0 dist 8.5458 9.30394 8.60638 6.60063 8.56533 5.84467 numMergedOcc 0
72 mol 289 unq 5 iso 0 dist 8.5458 8.47385 4.9954 6.60063 8.56533 11.0668 numMergedOcc 0
73 mol 289 unq 6 iso 0 dist 8.5458 8.44356 12.5806 6.60063 8.56533 14.3617 numMergedOcc 0
74 mol 289 unq 7 iso 0 dist 8.56533 5.84467 8.60638 6.60063 8.5458 9.30394 numMergedOcc 0
