0 mol 7 unq 0 iso 0 dist 6.36911 6.28925 7.58143 9.0379 13.2603 7.5706 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 6.28925 7.58143 13.2247 9.36807 8.70159 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.31201 8.70159 8.50789 15.4949 13.1631 7.5706 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.31201 8.70159 8.50789 13.2247 10.672 6.28925 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 9.36807 8.70159 7.58143 15.4949 13.2603 7.5706 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 9.36807 8.70159 7.58143 13.2247 6.36911 6.28925 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 9.87449 8.07369 12.31 5.06358 12.9221 6.79837 numMergedOcc 0
7 mol 15 unq 0 iso 0 dist 9.78051 8.63502 5.3298 5.17568 10.2713 7.876 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.83618 6.79185 6.17433 5.06502 13.5377 8.92291 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 9.83618 6.79185 6.17433 6.45462 13.7177 8.37962 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.70133 9.33919 13.2106 5.4148 4.65521 9.79143 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.70133 9.33919 13.2106 14.9342 15.9587 6.43377 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 4.65521 9.79143 13.2106 5.4148 8.70133 9.33919 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 4.65521 9.79143 13.2106 13.3558 15.9587 6.43377 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.47876 9.30021 4.59398 6.9948 7.22293 5.62635 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 7.22293 5.62635 4.59398 6.9948 9.47876 9.30021 numMergedOcc 0
16 mol 86 unq 0 iso 0 dist 7.79359 6.81209 7.20037 12.6999 12.4875 7.73058 numMergedOcc 0
17 mol 86 unq 1 iso 0 dist 7.79359 6.81209 7.20037 7.03817 10.3067 8.54122 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 7.51358 8.01624 5.76517 7.40574 8.32298 7.83004 numMergedOcc 0
19 mol 87 unq 1 iso 0 dist 8.93296 8.01624 12.1952 7.40574 14.2495 7.83004 numMergedOcc 0
20 mol 87 unq 2 iso 0 dist 8.32298 7.83004 5.76517 7.40574 7.51358 8.01624 numMergedOcc 0
21 mol 88 unq 0 iso 0 dist 9.10189 9.30559 4.24369 13.5016 10.0292 5.96359 numMergedOcc 0
22 mol 88 unq 1 iso 0 dist 9.10189 9.30559 4.24369 11.8813 11.575 7.48974 numMergedOcc 0
23 mol 88 unq 2 iso 0 dist 9.10189 9.30559 4.24369 11.6198 11.5156 8.40428 numMergedOcc 0
24 mol 88 unq 3 iso 0 dist 8.66514 6.066 7.39092 5.57085 10.6733 9.36032 numMergedOcc 0
25 mol 88 unq 4 iso 0 dist 8.66514 6.066 7.39092 9.94966 15.3017 8.3592 numMergedOcc 0
26 mol 88 unq 5 iso 0 dist 9.25235 6.066 8.30564 5.57085 8.69012 9.36032 numMergedOcc 0
27 mol 88 unq 6 iso 0 dist 9.25235 6.066 8.30564 9.94966 14.4879 8.3592 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 8.59981 5.72373 4.98036 5.55757 7.66331 7.20988 numMergedOcc 0
29 mol 127 unq 1 iso 0 dist 7.66331 7.20988 4.98036 5.55757 8.59981 5.72373 numMergedOcc 0
30 mol 127 unq 2 iso 0 dist 7.34519 5.72373 8.57565 5.55757 8.58999 7.20988 numMergedOcc 0
31 mol 127 unq 3 iso 0 dist 8.58999 7.20988 8.57565 5.55757 7.34519 5.72373 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.31887 5.08591 9.19032 6.2715 12.816 8.03727 numMergedOcc 0
33 mol 175 unq 1 iso 0 dist 9.0664 8.03727 7.15144 6.2715 10.689 5.08591 numMergedOcc 0
34 mol 183 unq 0 iso 0 dist 9.93083 7.24772 5.59584 6.64382 7.01383 7.89803 numMergedOcc 0
35 mol 183 unq 1 iso 0 dist 9.93083 7.24772 5.59584 7.09808 12.9255 9.75243 numMergedOcc 0
36 mol 183 unq 2 iso 0 dist 7.01383 7.89803 5.59584 6.64382 9.93083 7.24772 numMergedOcc 0
37 mol 183 unq 3 iso 0 dist 7.01383 7.89803 5.59584 8.1508 12.9255 9.75243 numMergedOcc 0
38 mol 213 unq 0 iso 0 dist 6.0965 8.29133 10.4683 5.45334 11.5105 8.96646 numMergedOcc 0
39 mol 213 unq 1 iso 0 dist 9.59129 8.29133 8.3461 5.45334 13.8919 8.96646 numMergedOcc 0
40 mol 219 unq 0 iso 0 dist 4.87541 5.40597 7.57664 7.02195 10.105 7.66784 numMergedOcc 0
41 mol 219 unq 1 iso 0 dist 4.87541 5.40597 7.57664 13.4387 15.5122 8.69579 numMergedOcc 0
42 mol 219 unq 2 iso 0 dist 4.87541 5.40597 7.57664 10.8119 14.1528 6.71733 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 5.50387 9.31373 7.96309 12.0157 13.4461 8.25629 numMergedOcc 0
44 mol 225 unq 1 iso 0 dist 5.50387 9.31373 7.96309 15.3446 12.9623 9.20561 numMergedOcc 0
45 mol 225 unq 2 iso 0 dist 5.50387 9.31373 7.96309 13.3965 9.88956 9.88976 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 6.25105 7.72403 6.81789 5.88703 7.85175 6.35438 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 6.25105 7.72403 6.81789 15.2225 13.0678 9.57132 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 9.5707 6.35438 10.0213 5.88703 10.3388 7.72403 numMergedOcc 0
49 mol 234 unq 3 iso 0 dist 9.5707 6.35438 10.0213 10.2693 11.8897 9.57132 numMergedOcc 0
50 mol 234 unq 4 iso 0 dist 7.85175 6.35438 6.81789 5.88703 6.25105 7.72403 numMergedOcc 0
51 mol 234 unq 5 iso 0 dist 7.85175 6.35438 6.81789 10.2693 13.0678 9.57132 numMergedOcc 0
52 mol 234 unq 6 iso 0 dist 9.39181 9.57132 5.16504 15.2225 11.6207 7.72403 numMergedOcc 0
53 mol 234 unq 7 iso 0 dist 9.39181 9.57132 5.16504 10.2693 10.475 6.35438 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 6.50589 8.11169 13.4431 9.15171 14.4588 6.32856 numMergedOcc 0
