0 mol 27 unq 0 iso 0 dist 9.62305 6.98319 8.11206 5.84177 8.71752 4.73598 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.62305 6.98319 8.11206 6.25033 7.60283 7.47886 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.29253 6.97983 7.71914 5.08831 8.2946 6.45654 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.29253 6.97983 7.71914 6.54316 9.25346 11.9626 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.55469 10.4148 8.80108 10.4636 8.71468 10.8421 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.55469 5.24617 6.50297 10.4636 8.71468 11.3634 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 5.99959 12.9126 8.80108 6.10173 8.71468 10.8421 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 5.99959 10.3955 6.50297 6.10173 8.71468 11.3634 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.41059 5.80406 7.99631 5.84237 7.70313 11.4407 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.41059 5.29313 6.40036 5.84237 7.70313 5.67953 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 6.53104 5.23522 6.40036 5.98956 7.52142 9.65908 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.82638 15.7898 8.55681 9.11419 5.52683 6.76437 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 9.82638 6.70767 6.2135 9.11419 5.52683 5.39904 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 9.89595 5.58352 6.90155 11.7605 5.81122 10.143 numMergedOcc 0
14 mol 157 unq 0 iso 0 dist 8.90403 5.9983 7.23499 11.3969 6.455 8.17657 numMergedOcc 0
15 mol 157 unq 1 iso 0 dist 9.63472 8.48083 7.23499 8.72685 6.455 8.17657 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 5.35423 8.98947 6.41318 8.86184 9.86703 12.2576 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 5.29147 4.49931 5.89018 4.84643 9.55606 8.92711 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.3853 6.74192 6.00721 10.0472 8.90076 13.3255 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 5.3853 6.74192 6.00721 10.0651 6.62002 9.71156 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.48307 9.60001 8.53287 15.585 9.01462 12.0657 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 9.03093 11.2016 7.25543 15.0148 7.02079 7.4465 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 9.03093 11.2016 7.25543 5.93253 5.88802 6.76677 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 9.01911 7.92347 5.94383 6.19393 6.44252 6.40578 numMergedOcc 0
24 mol 250 unq 1 iso 0 dist 9.01911 6.23278 7.88284 6.19393 6.44252 9.48491 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.4619 6.52055 8.76313 6.29323 8.92185 5.19922 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 7.4619 9.62816 7.4363 6.29323 8.92185 10.2977 numMergedOcc 0
