0 mol 7 unq 0 iso 0 dist 9.97624 17.4118 8.60435 13.0969 6.14469 12.4861 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.57198 6.81435 8.076 13.9252 7.35972 8.88528 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.57198 6.81435 8.076 18.4167 9.93542 14.0736 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 9.57198 13.6861 6.32226 13.9252 7.35972 4.58685 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 9.57198 13.6861 6.32226 18.4167 9.93542 5.83039 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 5.82366 6.34272 6.39966 11.4087 9.95212 13.9675 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 5.497 14.3325 9.5053 11.553 6.56527 5.66783 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.34031 10.2706 7.59316 8.13678 8.29857 4.16161 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.281 10.3548 7.51285 8.24402 8.19993 4.20245 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 7.281 10.9405 8.86698 8.24402 8.19993 14.2174 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.10439 11.2505 6.48232 9.79695 8.87464 7.86177 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 7.03226 5.77727 9.75201 9.24521 8.95905 7.2505 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.05495 13.7907 8.70863 13.3263 9.66222 8.31077 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.95465 4.76302 7.39179 8.71385 9.60622 13.0644 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 6.95465 4.76302 7.39179 5.54732 9.91054 9.98219 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 6.0129 13.6622 8.43352 10.2677 7.36769 8.02554 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 6.0129 13.6622 8.43352 5.71029 6.88901 11.2092 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 9.83981 8.36453 9.35942 16.0864 8.42878 10.5177 numMergedOcc 0
18 mol 114 unq 1 iso 0 dist 9.83981 17.1979 7.42482 16.0864 8.42878 8.66057 numMergedOcc 0
19 mol 114 unq 2 iso 0 dist 6.13559 6.22315 9.35942 11.1434 8.42878 10.5177 numMergedOcc 0
20 mol 114 unq 3 iso 0 dist 6.13559 13.0539 7.42482 11.1434 8.42878 8.66057 numMergedOcc 0
21 mol 114 unq 4 iso 0 dist 6.51395 6.18257 9.35942 4.41568 8.42878 10.5177 numMergedOcc 0
22 mol 114 unq 5 iso 0 dist 6.51395 10.4498 7.42482 4.41568 8.42878 8.66057 numMergedOcc 0
23 mol 116 unq 0 iso 0 dist 7.35992 7.50935 8.79367 6.10081 8.38606 12.2604 numMergedOcc 0
24 mol 116 unq 1 iso 0 dist 6.49383 12.4955 8.79367 4.94926 8.38606 12.2604 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 7.26955 9.0892 9.9151 4.48922 7.20249 4.99495 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.87262 9.24851 7.82544 10.6436 6.84835 5.61022 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 6.87262 9.24851 7.82544 9.01682 8.42748 12.8357 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 6.87262 6.19569 6.18808 10.6436 6.84835 5.71483 numMergedOcc 0
29 mol 133 unq 3 iso 0 dist 6.87262 6.19569 6.18808 9.01682 8.42748 5.83691 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 8.55616 8.05714 9.30061 10.6595 6.40575 14.2253 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 8.73604 9.65798 9.30061 14.1488 6.40575 14.2253 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 4.25566 11.1956 9.78667 7.64948 9.83945 8.69924 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 4.25566 9.65952 8.47026 7.64948 9.83945 9.33878 numMergedOcc 0
34 mol 141 unq 2 iso 0 dist 6.63171 14.6024 9.78667 14.2837 9.83945 8.69924 numMergedOcc 0
35 mol 141 unq 3 iso 0 dist 6.63171 11.3036 8.47026 14.2837 9.83945 9.33878 numMergedOcc 0
36 mol 141 unq 4 iso 0 dist 7.67273 11.2383 9.78667 10.6379 9.83945 8.69924 numMergedOcc 0
37 mol 141 unq 5 iso 0 dist 7.67273 7.19116 8.47026 10.6379 9.83945 9.33878 numMergedOcc 0
38 mol 141 unq 6 iso 0 dist 7.31037 11.1956 6.73983 7.64948 6.75376 8.69924 numMergedOcc 0
39 mol 141 unq 7 iso 0 dist 7.31037 9.65952 8.6387 7.64948 6.75376 9.33878 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 6.05323 5.33988 7.46845 11.9671 8.21184 12.4049 numMergedOcc 0
41 mol 156 unq 1 iso 0 dist 6.05323 5.33988 7.46845 8.69711 5.9976 11.7015 numMergedOcc 0
42 mol 193 unq 0 iso 0 dist 7.60625 5.91268 7.8141 4.17434 9.40801 3.98356 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 8.52969 7.69247 5.68348 4.26755 6.38324 7.50057 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 8.52969 7.69247 5.68348 11.8663 6.1886 5.92931 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 7.17337 7.0877 6.57921 5.12599 9.78181 7.86594 numMergedOcc 0
46 mol 232 unq 1 iso 0 dist 7.17337 7.0877 6.57921 16.1253 9.8664 13.8622 numMergedOcc 0
47 mol 237 unq 0 iso 0 dist 9.27395 7.48464 9.54499 9.55218 8.10254 9.25593 numMergedOcc 0
48 mol 237 unq 1 iso 0 dist 9.27395 8.97735 5.6703 9.55218 8.10254 6.26206 numMergedOcc 0
49 mol 250 unq 0 iso 0 dist 6.28538 7.62569 5.93798 6.40578 9.70149 12.4255 numMergedOcc 0
50 mol 265 unq 0 iso 0 dist 5.40318 7.10449 8.85062 6.88401 8.984 5.37186 numMergedOcc 0
