0 mol 19 unq 0 iso 0 dist 8.18518 8.63204 5.18512 14.1404 8.4674 10.1882 15.2051 9.78944 7.48847 7.83352 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 14.1404 8.4674 10.1882 6.57145 4.54938 6.92532 7.67038 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.18518 8.63204 5.18512 14.1404 8.4674 10.1882 6.01189 7.82074 6.36455 10.3915 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 15.2051 9.78944 7.48847 10.8007 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 6.01189 7.82074 6.36455 5.03957 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 15.2051 9.78944 7.48847 10.6598 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 6.57145 4.54938 6.92532 5.03957 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 8.8926 11.573 7.83786 7.05502 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 10.0675 8.7531 7.55695 7.29309 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 14.3334 11.5843 8.82176 12.2509 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 8.8058 8.4928 9.62257 12.5818 6.43294 10.0962 5.09908 8.33063 9.96399 10.1562 numMergedOcc 0
11 mol 60 unq 3 iso 0 dist 8.8058 8.4928 9.62257 12.5818 6.43294 10.0962 10.0675 8.7531 7.55695 5.67502 numMergedOcc 0
12 mol 60 unq 4 iso 0 dist 8.8058 8.4928 9.62257 12.5818 6.43294 10.0962 14.3334 11.5843 8.82176 6.54743 numMergedOcc 0
13 mol 60 unq 5 iso 0 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 5.09908 8.33063 9.96399 7.29309 numMergedOcc 0
14 mol 60 unq 6 iso 0 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 14.3334 11.5843 8.82176 5.00018 numMergedOcc 0
15 mol 75 unq 0 iso 0 dist 7.16583 6.59253 5.36954 6.77761 7.79912 11.1537 8.82267 12.3916 7.9233 15.4102 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.22376 9.924 10.121 5.75796 7.47541 12.3486 3.85308 7.66905 7.33422 5.42586 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 9.22376 9.924 10.121 9.77828 5.73196 14.9249 3.85308 7.66905 7.33422 10.1164 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 5.81552 6.48223 3.98564 10.626 9.60462 7.23962 8.19562 11.192 9.00067 7.03147 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 5.81552 6.48223 3.98564 10.626 9.60462 7.23962 5.71097 10.9806 9.89499 11.4954 numMergedOcc 0
20 mol 112 unq 2 iso 0 dist 5.81552 6.48223 3.98564 10.626 9.60462 7.23962 5.27363 7.45389 7.30204 7.05226 numMergedOcc 0
21 mol 112 unq 3 iso 0 dist 5.81552 6.48223 3.98564 5.27363 7.45389 7.30204 10.626 9.60462 7.23962 7.05226 numMergedOcc 0
22 mol 112 unq 4 iso 0 dist 5.81552 6.48223 3.98564 5.27363 7.45389 7.30204 8.19562 11.192 9.00067 5.56241 numMergedOcc 0
23 mol 112 unq 5 iso 0 dist 5.81552 6.48223 3.98564 5.27363 7.45389 7.30204 5.71097 10.9806 9.89499 6.77737 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 9.56867 8.99731 7.3094 9.97256 6.11741 10.9734 7.64822 7.88312 5.72642 7.69052 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 15.0199 12.6531 9.2581 10.5806 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 8.88 11.8674 9.62632 6.9154 numMergedOcc 0
27 mol 222 unq 2 iso 0 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 15.0199 12.6531 9.2581 17.2569 numMergedOcc 0
28 mol 222 unq 3 iso 0 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 8.88 11.8674 9.62632 12.6553 numMergedOcc 0
29 mol 222 unq 4 iso 0 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 5.68063 6.00706 7.862 6.8425 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 7.80525 9.92698 10.4713 4.84708 7.32223 13.1441 6.27022 11.6434 9.66465 8.02948 numMergedOcc 0
31 mol 253 unq 1 iso 0 dist 7.71295 9.92698 6.89124 4.84708 8.31064 13.1441 6.27022 6.73034 9.66465 8.02948 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 4.78812 7.11691 8.7909 5.27123 8.33638 8.46061 11.9042 13.2494 9.64269 8.12676 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 4.78812 7.11691 8.7909 5.27123 8.33638 8.46061 9.87214 13.168 6.88809 7.34222 numMergedOcc 0
34 mol 272 unq 2 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 9.87214 10.1698 6.88809 6.6954 numMergedOcc 0
35 mol 272 unq 3 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 5.27123 8.46116 8.46061 8.12676 numMergedOcc 0
36 mol 272 unq 4 iso 0 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 11.9042 9.97651 9.64269 8.12676 numMergedOcc 0
37 mol 272 unq 5 iso 0 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 9.87214 10.1698 6.88809 7.34222 numMergedOcc 0
