0 mol 19 unq 0 iso 0 dist 8.58657 7.7312 9.61438 4.69858 10.7418 6.38574 9.56313 12.0759 4.23427 6.00439 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.58657 7.7312 9.61438 4.69858 10.7418 6.38574 4.51865 6.74265 4.44441 6.20943 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.58657 7.7312 9.61438 4.69858 10.7418 6.38574 6.864 5.5841 10.0411 7.82528 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.20119 8.27463 3.82801 5.67689 8.59109 9.44125 11.2563 9.01651 9.89212 7.06308 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 9.20119 8.27463 3.82801 5.67689 8.59109 9.44125 7.58835 6.89191 5.84319 6.34173 numMergedOcc 0
5 mol 45 unq 2 iso 0 dist 9.20119 8.27463 3.82801 5.67689 8.59109 9.44125 11.5838 5.54436 6.16709 9.43442 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.40841 8.34191 3.8375 4.55117 8.80108 8.88313 10.1508 6.78077 4.63196 9.33535 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.40841 8.34191 3.8375 4.55117 8.80108 8.88313 7.32874 6.75888 8.44881 8.26899 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 6.40841 6.39747 6.11446 4.55117 8.80108 5.48837 10.1508 6.78077 4.57635 9.33535 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 6.40841 6.39747 6.11446 4.55117 8.80108 5.48837 7.32874 6.75888 4.25144 8.26899 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 8.63333 9.23438 4.43437 5.92889 7.01363 8.98478 6.86465 6.47744 4.59417 9.58673 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 8.89374 7.17488 4.43437 7.05413 7.01363 8.98478 6.35756 6.47744 4.59417 9.58673 numMergedOcc 0
12 mol 58 unq 6 iso 0 dist 6.46761 6.79356 4.43437 6.61756 7.01363 8.98478 10.3224 6.47744 4.59417 9.58673 numMergedOcc 0
13 mol 58 unq 7 iso 0 dist 7.58407 6.79356 9.59066 6.61756 10.2688 8.98478 10.3224 12.8257 4.59417 9.58673 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 8.66514 6.65615 6.69123 6.95868 13.649 9.08952 9.36773 8.4283 4.47193 9.2603 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 9.25235 6.65615 3.77436 6.95868 12.48 9.08952 9.36773 5.37521 4.47193 9.2603 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 8.71128 9.93438 5.80637 9.2907 7.36816 9.26486 10.1937 4.77056 10.5728 8.68821 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 8.71128 9.93438 5.80637 9.2907 7.36816 9.26486 12.4727 5.31865 5.74761 7.12609 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 4.77464 6.3244 7.79077 9.30299 14.085 12.7606 9.81878 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 7.66331 5.01504 6.92548 7.11695 6.3244 7.79077 14.7391 14.085 12.7606 9.81878 numMergedOcc 0
20 mol 127 unq 2 iso 0 dist 7.34519 5.39356 5.87751 4.77464 11.7518 7.79077 9.30299 13.1312 12.7606 9.81878 numMergedOcc 0
21 mol 127 unq 3 iso 0 dist 8.58999 5.01504 5.87751 7.11695 11.7518 7.79077 14.7391 13.1312 12.7606 9.81878 numMergedOcc 0
22 mol 127 unq 4 iso 0 dist 6.63981 6.80627 5.87751 9.79266 11.7518 7.79077 14.9565 13.1312 12.7606 9.81878 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.98142 8.29467 9.55459 6.7991 12.2455 6.91878 7.81386 9.53462 6.13927 4.93785 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.37327 8.29467 7.66761 6.7991 11.691 6.91878 7.81386 11.1462 6.13927 4.93785 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 8.53199 7.84952 6.19774 7.47048 6.75035 8.5244 10.9501 10.2673 14.5747 7.17547 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 8.53199 7.84952 6.19774 7.47048 6.75035 8.5244 12.8943 6.60235 11.7256 7.13323 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.58736 8.08965 14.2299 4.65302 11.9287 9.11149 5.4638 9.66021 4.75609 8.21247 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 4.99891 11.4462 8.22608 5.30224 5.31048 5.96249 6.77938 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 8.37865 8.25897 11.0001 4.99891 11.4462 5.23503 5.30224 5.31048 5.97386 6.77938 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 8.37865 8.25897 11.0001 5.32839 9.64797 9.61028 5.30224 5.31048 5.97386 7.76676 numMergedOcc 0
