0 mol 19 unq 0 iso 0 dist 8.23643 6.92532 6.87842 5.03957 8.73972 6.36455 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.73972 6.36455 6.87842 5.03957 8.23643 6.92532 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.00439 7.48847 6.34272 7.83352 6.20943 10.1882 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 6.00439 7.48847 6.34272 10.8007 7.82528 6.92532 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 7.82528 6.92532 6.34272 10.8007 6.00439 7.48847 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 7.82528 6.92532 6.34272 7.67038 6.20943 10.1882 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 6.4934 8.72023 6.31611 8.77584 6.93199 12.7734 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 13.2136 8.82012 10.4035 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.06308 6.06454 5.94047 5.24762 6.34173 9.44459 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 7.06308 6.06454 5.94047 5.48601 9.43442 10.3991 numMergedOcc 0
10 mol 45 unq 2 iso 0 dist 6.34173 9.44459 5.94047 5.24762 7.06308 6.06454 numMergedOcc 0
11 mol 45 unq 3 iso 0 dist 6.34173 9.44459 5.94047 5.101 9.43442 10.3991 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 10.8153 8.63333 14.62 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 6.46761 7.27383 9.17656 8.62958 8.89374 10.9864 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.46761 7.27383 9.17656 6.47414 9.73139 12.5444 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 7.58407 7.27383 10.8775 11.0466 6.40841 16.5117 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 7.58407 7.27383 10.8775 6.47414 6.31428 12.5444 numMergedOcc 0
17 mol 70 unq 0 iso 0 dist 8.33704 9.31969 11.6542 5.22626 7.92394 6.54023 numMergedOcc 0
18 mol 70 unq 1 iso 0 dist 7.92394 6.54023 11.6542 5.22626 8.33704 9.31969 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 7.4697 5.64598 13.1821 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 8.70133 7.04044 11.2505 5.4148 4.65521 8.73253 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 4.65521 8.73253 11.2505 5.4148 8.70133 7.04044 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 4.65521 8.73253 11.2505 5.7113 5.64598 13.1821 numMergedOcc 0
23 mol 76 unq 0 iso 0 dist 8.19682 4.79949 8.83525 10.2879 6.21982 13.187 numMergedOcc 0
24 mol 76 unq 1 iso 0 dist 8.19682 7.27693 5.77727 10.2879 6.21982 11.2278 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 9.47876 7.1589 12.5072 6.9948 7.22293 11.2808 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 5.87358 5.34214 5.94311 4.98336 9.20981 7.55384 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 9.20981 7.55384 5.94311 4.98336 5.87358 5.34214 numMergedOcc 0
28 mol 114 unq 0 iso 0 dist 8.71128 6.34525 14.3491 5.59517 7.52743 11.6441 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 7.69052 9.66954 10.9734 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 11.6667 7.39889 14.7025 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 12.4603 7.44174 13.1741 numMergedOcc 0
32 mol 126 unq 0 iso 0 dist 7.75534 9.46588 5.83002 7.12167 9.06011 13.4223 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 8.6243 8.71039 8.15392 6.63273 6.91348 11.6142 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 numMergedOcc 0
35 mol 131 unq 2 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 5.49782 5.42582 10.873 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 8.80819 8.6355 13.846 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 8.6355 5.53031 11.9544 8.80819 8.79571 13.9396 numMergedOcc 0
39 mol 134 unq 3 iso 0 dist 8.6355 5.53031 11.9544 5.00817 5.42582 10.1537 numMergedOcc 0
40 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 5.67306 9.54444 11.0888 numMergedOcc 0
41 mol 142 unq 0 iso 0 dist 7.15475 9.17106 5.14959 5.32922 9.07935 12.432 numMergedOcc 0
42 mol 183 unq 0 iso 0 dist 7.01383 8.54827 5.45974 6.64382 9.93083 13.7917 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 6.95408 6.96521 4.05564 8.2172 9.57538 11.3758 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 6.95408 6.96521 4.05564 10.5623 9.2285 12.3049 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 6.95408 6.96521 4.05564 11.7618 7.58278 11.1778 numMergedOcc 0
46 mol 194 unq 3 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 numMergedOcc 0
47 mol 194 unq 4 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 numMergedOcc 0
49 mol 227 unq 1 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 5.88703 7.85175 7.5366 numMergedOcc 0
51 mol 234 unq 1 iso 0 dist 7.85175 7.5366 13.0974 5.88703 6.25105 8.24186 numMergedOcc 0
52 mol 236 unq 0 iso 0 dist 5.34718 8.50331 11.6774 7.28249 7.17676 11.9847 numMergedOcc 0
53 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 10.1648 9.29858 7.32982 numMergedOcc 0
54 mol 238 unq 1 iso 0 dist 9.29858 7.32982 6.48619 10.1648 9.68513 6.4398 numMergedOcc 0
55 mol 238 unq 2 iso 0 dist 9.90142 6.66971 5.8333 5.40359 5.9216 6.4398 numMergedOcc 0
56 mol 238 unq 3 iso 0 dist 5.9216 6.4398 5.8333 5.40359 9.90142 6.66971 numMergedOcc 0
57 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 4.28414 7.03489 8.44909 numMergedOcc 0
58 mol 240 unq 1 iso 0 dist 7.03489 8.44909 9.75032 4.28414 6.15305 9.47583 numMergedOcc 0
59 mol 272 unq 0 iso 0 dist 9.09992 9.19033 11.8912 5.40809 6.73206 11.9971 numMergedOcc 0
60 mol 276 unq 0 iso 0 dist 9.38971 6.70215 5.86074 8.62129 8.71541 7.23916 numMergedOcc 0
61 mol 276 unq 1 iso 0 dist 9.38971 6.70215 5.86074 8.88126 8.76347 10.0283 numMergedOcc 0
62 mol 276 unq 2 iso 0 dist 8.71541 7.23916 5.86074 8.62129 9.38971 6.70215 numMergedOcc 0
63 mol 276 unq 3 iso 0 dist 8.71541 7.23916 5.86074 5.50479 8.76347 10.0283 numMergedOcc 0
