0 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 4.96411 7.75618 7.02548 10.3996 11.0464 7.40236 6.08459 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 4.44441 10.1278 6.38574 5.31883 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 10.0411 10.1278 6.38574 5.31883 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 4.44441 7.7312 6.38574 5.31883 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 12.323 11.6815 7.40236 6.08459 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 10.0411 7.7312 6.38574 5.31883 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 6.864 8.58657 5.5841 7.08342 7.75618 7.02548 12.323 11.0464 7.40236 6.08459 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.86465 9.58673 5.92889 5.78774 9.92355 13.7654 4.59417 9.23438 8.98478 8.76454 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 6.62496 9.58673 10.2241 5.78774 5.93884 13.7654 4.59417 9.9105 8.98478 8.76454 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 6.35756 9.58673 7.05413 5.78774 7.68678 13.7654 4.59417 7.17488 8.98478 8.76454 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 5.11416 9.24757 7.10439 4.73407 11.3218 7.78587 7.98468 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.19304 4.65521 7.41074 6.56633 9.24757 7.10439 5.17781 11.3218 7.78587 7.98468 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 11.4997 9.81166 13.1026 4.74027 9.16597 7.30467 7.98253 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 12.3859 9.68271 7.03417 3.87825 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 12.7565 7.38677 10.8154 12.3859 9.68271 7.03417 8.8033 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 11.3622 9.68271 7.03417 3.87825 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 6.82344 9.70512 6.99832 5.91004 7.38677 10.8154 11.3622 9.68271 7.03417 8.8033 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 7.36792 9.94856 5.498 7.42011 8.31932 13.2332 3.48119 5.54256 7.68537 7.28191 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 11.618 11.8368 7.61421 13.4378 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 5.98885 6.71012 9.14057 5.6044 9.72611 10.7723 11.618 15.9184 7.61421 12.813 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 5.98885 6.71012 9.14057 6.6251 7.99195 7.13252 11.618 15.9184 7.61421 13.4378 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 7.81386 4.93785 6.7991 7.77758 5.94469 7.05653 6.13927 8.29467 6.91878 3.63671 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 8.51516 5.90931 12.9483 5.86489 7.32294 11.641 6.49075 13.0232 9.58537 8.56684 numMergedOcc 0
23 mol 209 unq 0 iso 0 dist 7.56373 9.52027 6.43758 6.552 6.85935 12.3767 5.36295 9.98952 8.62439 11.5669 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.54212 7.18956 7.61682 13.3447 9.07471 16.4961 5.2269 12.2548 9.29675 17.8849 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 7.60081 9.55668 7.95766 4.75609 8.08965 9.11149 6.82702 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 10.0842 9.01021 10.9156 8.19606 10.8831 9.82674 5.58588 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 8.81835 7.98231 8.71497 6.65799 12.9913 9.28024 9.75001 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 8.81835 7.08526 8.71497 6.65799 11.9533 9.28024 9.75001 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 6.24356 9.5784 9.67998 7.52936 5.93616 7.34094 11.147 15.2551 8.56867 13.0664 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 6.24356 9.5784 9.67998 7.52936 5.93616 7.34094 10.0018 13.3874 6.29872 10.4666 numMergedOcc 0
