0 mol 16 unq 0 iso 0 dist 9.15471 5.61445 9.30471 8.82587 6.88552 5.05803 12.5048 12.8949 6.92781 6.31718 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.67459 9.69698 8.03754 15.8918 13.1056 6.20293 12.7846 12.7352 5.06502 5.73819 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.67459 9.69698 8.03754 15.8918 13.1056 6.20293 11.6244 10.5813 6.45462 8.93915 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 11.0108 12.8453 9.96396 13.6586 14.8693 15.7123 9.38498 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.7939 10.3774 7.23812 11.0108 12.8453 9.96396 4.15333 10.5158 12.016 9.75218 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.44695 12.6626 7.23812 20.562 12.8453 9.96396 23.2281 14.8693 15.7123 9.38498 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.44695 12.6626 7.23812 20.562 12.8453 9.96396 16.1582 10.5158 12.016 9.75218 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 5.68894 9.64124 7.23812 16.3948 12.8453 9.96396 16.8585 14.8693 15.7123 9.38498 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 5.68894 9.64124 7.23812 16.3948 12.8453 9.96396 16.0481 10.5158 12.016 9.75218 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.26325 6.65856 6.42706 6.23966 5.12351 5.83384 5.16275 12.0652 9.05135 9.61051 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.92836 14.5299 9.47554 11.6202 9.67676 8.00618 17.4285 15.8406 11.965 6.29155 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 5.92836 14.5299 9.47554 11.6202 9.67676 8.00618 16.7953 13.9771 7.79672 6.80239 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 9.82274 15.3123 9.1146 19.9663 11.0256 7.11802 22.859 15.6213 8.18495 8.00618 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 9.02712 10.4303 9.1146 15.5187 11.0256 7.11802 15.442 15.6213 8.18495 8.00618 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.27341 9.50073 8.41774 16.0753 13.793 6.70283 12.5832 13.7313 5.42328 5.87555 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.27341 9.50073 8.41774 16.0753 13.793 6.70283 12.3114 12.3711 6.4896 8.67331 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 9.27341 9.50073 8.41774 16.0158 11.2124 7.16148 12.5832 13.7313 5.42328 8.87437 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 9.27341 9.50073 8.41774 16.0158 11.2124 7.16148 12.3114 12.3711 6.4896 8.05741 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.96263 11.9904 7.49783 10.9817 12.8561 8.95269 13.0574 11.5265 4.70378 6.57273 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 8.96263 11.9904 7.49783 10.9817 12.8561 8.95269 10.366 14.8623 11.5372 5.78342 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 6.86281 6.23084 8.68804 5.00457 6.36273 9.06952 5.65373 11.2048 6.84129 7.03423 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 7.3406 9.20564 9.77784 10.5044 5.09097 7.73141 4.69366 5.00128 10.1239 8.43057 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 7.3406 4.69366 5.00128 10.5044 5.09097 8.43057 9.20564 9.77784 10.1239 7.73141 numMergedOcc 0
23 mol 261 unq 2 iso 0 dist 9.15672 4.69366 6.58604 10.5044 11.9784 8.43057 9.20564 15.9156 10.1239 7.73141 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 7.85797 6.69098 9.37841 13.6003 9.71586 9.01049 13.5902 13.6353 7.03728 6.92774 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 7.85797 6.69098 9.37841 13.6003 9.71586 9.01049 11.0449 10.4633 8.05475 9.2983 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 5.54217 6.02816 8.15803 13.8479 11.2406 9.8993 12.7543 12.9942 6.88557 6.87396 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 6.38295 8.30978 5.41639 8.80588 8.26589 6.53701 5.80223 7.96485 5.51836 6.0664 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 6.38295 5.80223 7.96485 8.80588 8.26589 6.0664 8.30978 5.41639 5.51836 6.53701 numMergedOcc 0
