0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 9.88128 7.50258 7.34641 10.2037 8.02814 7.71924 14.2409 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 18.0124 8.85416 12.1186 12.8981 5.88036 6.08228 9.86958 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 9.82294 18.0124 8.85416 7.89444 5.66803 12.1186 12.8981 5.88036 9.86958 6.08228 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.1622 12.3943 9.47045 17.0484 8.07498 11.7643 13.118 9.95663 5.92936 12.762 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.59013 9.57143 9.47045 14.8028 8.07498 11.7643 11.5539 9.95663 5.92936 12.762 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 14.685 7.48127 10.0928 9.06225 5.22567 7.02854 12.4201 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 7.41861 7.7047 5.73235 4.00834 7.48127 10.0928 12.1652 5.22567 7.02854 12.4201 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.55798 6.05149 8.64686 7.95422 8.61089 12.6473 8.71103 9.57704 7.41952 16.352 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 4.66388 8.57909 8.36743 11.3418 4.84565 9.6874 11.9317 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.9268 8.75242 5.79195 14.0828 9.2759 12.1681 6.85651 5.35551 9.07294 7.50126 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.9268 8.75242 5.79195 15.4372 8.76088 9.34083 6.85651 5.35551 9.07294 12.8985 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 6.9268 14.0828 9.2759 8.75242 5.79195 12.1681 16.9398 10.8516 5.12189 14.2037 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 6.9268 14.0828 9.2759 8.75242 5.79195 12.1681 6.85651 5.35551 7.50126 9.07294 numMergedOcc 0
13 mol 133 unq 4 iso 0 dist 6.9268 14.0828 9.2759 15.4372 8.76088 11.2107 16.9398 10.8516 5.12189 9.428 numMergedOcc 0
14 mol 133 unq 5 iso 0 dist 6.9268 14.0828 9.2759 15.4372 8.76088 11.2107 6.85651 5.35551 7.50126 12.8985 numMergedOcc 0
15 mol 133 unq 6 iso 0 dist 8.19166 6.45333 5.79195 11.5586 9.2759 12.1681 7.03858 5.35551 9.07294 7.50126 numMergedOcc 0
16 mol 133 unq 7 iso 0 dist 8.19166 6.45333 5.79195 14.3705 8.76088 9.34083 7.03858 5.35551 9.07294 12.8985 numMergedOcc 0
17 mol 133 unq 8 iso 0 dist 8.19166 11.5586 9.2759 6.45333 5.79195 12.1681 15.5532 10.8516 5.12189 14.2037 numMergedOcc 0
18 mol 133 unq 9 iso 0 dist 8.19166 11.5586 9.2759 6.45333 5.79195 12.1681 7.03858 5.35551 7.50126 9.07294 numMergedOcc 0
19 mol 133 unq 10 iso 0 dist 8.19166 11.5586 9.2759 14.3705 8.76088 11.2107 15.5532 10.8516 5.12189 9.428 numMergedOcc 0
20 mol 133 unq 11 iso 0 dist 8.19166 11.5586 9.2759 14.3705 8.76088 11.2107 7.03858 5.35551 7.50126 12.8985 numMergedOcc 0
21 mol 189 unq 0 iso 0 dist 9.01418 10.2802 9.47321 4.79488 6.38294 8.74557 13.0356 8.03657 5.11059 10.0857 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 4.53228 6.54316 7.58554 10.9464 8.26312 7.99748 8.68803 5.94643 9.59937 10.2589 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 8.54078 6.2497 7.58554 10.4394 8.26312 7.99748 13.3402 5.94643 9.59937 10.2589 numMergedOcc 0
24 mol 245 unq 0 iso 0 dist 9.59668 5.43086 7.95061 14.5112 9.5096 15.2703 11.5225 11.8346 7.26913 20.9689 numMergedOcc 0
25 mol 245 unq 1 iso 0 dist 9.59668 5.43086 7.95061 14.5112 9.5096 15.2703 6.58637 3.53109 6.41862 10.8718 numMergedOcc 0
26 mol 245 unq 2 iso 0 dist 9.59668 5.43086 7.95061 14.5112 9.5096 15.2703 5.48167 9.71014 8.69377 15.1895 numMergedOcc 0
27 mol 245 unq 3 iso 0 dist 9.59668 14.5112 9.5096 5.43086 7.95061 15.2703 12.7508 4.20594 8.26223 12.0339 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.53084 11.0749 8.58092 4.80942 7.53199 8.76629 16.7315 13.2474 8.97411 16.4669 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 8.53084 11.0749 8.58092 5.81432 7.40014 5.64447 16.7315 13.2474 8.97411 11.4777 numMergedOcc 0
30 mol 258 unq 2 iso 0 dist 5.9223 9.26732 8.58092 10.1932 7.53199 8.76629 10.3095 13.2474 8.97411 16.4669 numMergedOcc 0
31 mol 258 unq 3 iso 0 dist 5.9223 9.26732 8.58092 6.72414 7.40014 5.64447 10.3095 13.2474 8.97411 11.4777 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 14.487 9.39714 13.1611 10.0039 13.1376 9.63694 21.9878 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 7.3055 6.1113 6.57444 14.487 9.39714 13.1611 10.8326 5.91091 6.58277 8.12204 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 7.3055 14.487 9.39714 6.1113 6.57444 13.1611 10.8326 5.91091 8.12204 6.58277 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 9.4943 7.88101 9.77023 5.71611 6.37998 8.23817 11.7157 7.87494 5.76337 9.47998 numMergedOcc 0
36 mol 294 unq 1 iso 0 dist 9.4943 7.88101 9.77023 5.71611 6.37998 8.23817 16.0579 11.4878 9.39625 13.3652 numMergedOcc 0
