0 mol 61 unq 0 iso 0 dist 9.67403 7.31677 12.9303 6.30737 15.7081 8.8795 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.06225 8.92491 5.22567 8.04327 7.02854 5.73235 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 9.06225 8.92491 5.22567 14.685 12.4201 7.48127 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.71103 5.55798 9.57704 7.95422 16.352 8.61089 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.71103 5.55798 9.57704 6.05149 7.41952 8.64686 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 5.33644 5.61946 4.74328 6.02095 6.81741 8.68674 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 8.63018 6.65878 5.06265 5.0466 7.07421 7.6453 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 7.63333 8.72039 9.50212 7.53392 11.9733 9.39389 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.85651 6.9268 5.35551 8.75242 9.07294 5.79195 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.85651 6.9268 5.35551 14.0828 7.50126 9.2759 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 6.85651 6.9268 5.35551 15.4372 12.8985 8.76088 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 9.21256 9.56319 13.6927 14.3149 21.0153 8.8353 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 6.23615 9.73038 13.6927 17.9749 21.0153 8.8353 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 7.03858 8.19166 5.35551 6.45333 9.07294 5.79195 numMergedOcc 0
14 mol 133 unq 6 iso 0 dist 7.03858 8.19166 5.35551 11.5586 7.50126 9.2759 numMergedOcc 0
15 mol 133 unq 7 iso 0 dist 7.03858 8.19166 5.35551 14.3705 12.8985 8.76088 numMergedOcc 0
16 mol 136 unq 0 iso 0 dist 9.87222 7.65792 7.92003 4.65485 13.3304 8.41727 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 6.00651 5.47265 9.20914 7.75436 13.0859 5.32865 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 8.52428 5.47265 4.61905 7.75436 9.13646 5.32865 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 7.38821 7.99897 6.39127 4.0252 7.69421 8.29364 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.89709 6.36789 6.12748 12.6035 7.02662 6.72718 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 7.252 5.21088 8.77024 4.65303 11.3936 7.36571 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 7.252 9.78743 5.21255 13.2525 7.30965 6.2016 numMergedOcc 0
23 mol 192 unq 2 iso 0 dist 7.252 8.25609 13.9721 4.65303 11.3936 9.17137 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.0153 9.35664 9.10689 10.612 10.5568 7.2833 numMergedOcc 0
25 mol 217 unq 0 iso 0 dist 8.79299 7.80898 5.16489 4.10975 6.01666 7.60302 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.68803 4.53228 5.94643 10.9464 10.2589 8.26312 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 8.68803 4.53228 5.94643 6.54316 9.59937 7.58554 numMergedOcc 0
28 mol 245 unq 0 iso 0 dist 6.58637 9.59668 3.53109 5.43086 6.41862 7.95061 numMergedOcc 0
29 mol 245 unq 1 iso 0 dist 6.58637 9.59668 3.53109 14.5112 10.8718 9.5096 numMergedOcc 0
30 mol 245 unq 2 iso 0 dist 5.48167 9.59668 9.71014 5.43086 8.69377 7.95061 numMergedOcc 0
31 mol 245 unq 3 iso 0 dist 5.48167 9.59668 9.71014 14.5112 15.1895 9.5096 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 6.18894 5.9223 9.54058 10.1932 15.4092 7.53199 numMergedOcc 0
33 mol 258 unq 1 iso 0 dist 6.18894 5.9223 9.54058 9.26732 14.9694 8.58092 numMergedOcc 0
34 mol 258 unq 2 iso 0 dist 6.18894 5.9223 9.54058 6.72414 12.8493 7.40014 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 8.22353 8.01664 3.89234 5.62902 9.50814 7.52632 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 9.52454 6.91029 4.62424 5.64983 10.5087 6.02879 numMergedOcc 0
