0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.80928 4.51865 6.864 11.0366 5.14627 6.20943 7.82528 10.2708 4.69858 5.18512 10.1882 6.92532 6.36455 9.47529 6.34272 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 5.80928 4.51865 11.0366 6.864 5.14627 6.20943 10.2708 7.82528 4.69858 5.18512 10.1882 6.36455 6.92532 9.47529 6.34272 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 7.34551 7.20519 12.1187 10.4091 10.9543 8.78293 12.6444 13.4721 5.31524 5.18512 6.92532 6.36455 10.1882 12.3486 15.1136 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 7.34551 7.20519 12.1187 10.4091 6.55187 8.23643 8.73972 14.6255 11.0832 5.18512 6.92532 6.36455 10.1882 12.3486 6.87842 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 7.34551 7.20519 12.1187 10.4091 5.14627 7.82528 10.2708 6.20943 10.4988 5.18512 6.92532 6.36455 10.1882 12.3486 6.34272 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.80928 6.864 11.0366 4.51865 10.9543 8.78293 12.6444 13.4721 11.4401 5.18512 6.92532 6.36455 10.1882 9.47529 15.1136 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.80928 6.864 11.0366 4.51865 6.55187 8.23643 8.73972 14.6255 12.3093 5.18512 6.92532 6.36455 10.1882 9.47529 6.87842 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.80928 6.864 11.0366 4.51865 5.14627 7.82528 10.2708 6.20943 4.69858 5.18512 6.92532 6.36455 10.1882 9.47529 6.34272 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 9.49077 9.83618 13.5377 13.7177 10.4442 5.48048 10.0649 8.44903 13.5072 7.05402 13.0676 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 7.41074 8.70133 4.65521 15.9587 13.4082 8.26458 7.04044 8.73253 10.3244 15.7304 11.2505 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 7.41074 8.70133 4.65521 15.9587 15.9882 8.26458 7.04044 8.73253 10.3244 8.35241 11.2505 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 7.41074 8.70133 15.9587 4.65521 13.4082 14.8866 16.8706 8.85586 18.0011 23.7349 20.826 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 7.41074 8.70133 15.9587 4.65521 13.4082 8.05119 12.4407 7.11 12.0613 20.464 13.6371 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 7.41074 8.70133 15.9587 4.65521 15.9882 14.8866 16.8706 8.85586 18.0011 10.6419 20.826 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 7.41074 8.70133 15.9587 4.65521 15.9882 8.05119 12.4407 7.11 12.0613 11.2112 13.6371 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 5.42586 7.97049 11.3023 7.47541 11.6116 9.47876 13.6587 7.22293 7.98917 5.08358 7.1589 8.00777 11.2808 6.37974 12.5072 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 5.42586 7.47541 11.3023 7.97049 11.6116 7.22293 13.6587 9.47876 7.98917 5.08358 11.2808 8.00777 7.1589 6.37974 12.5072 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 10.1164 5.73196 15.309 11.2656 11.6116 7.22293 13.6587 9.47876 6.47779 5.08358 11.2808 8.00777 7.1589 12.9551 12.5072 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 5.42586 7.47541 7.97049 11.3023 11.6116 7.22293 9.47876 13.6587 7.98917 5.08358 11.2808 7.1589 8.00777 6.37974 12.5072 numMergedOcc 0
19 mol 85 unq 4 iso 0 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 10.1164 5.73196 11.2656 15.309 11.6116 7.22293 9.47876 13.6587 6.47779 5.08358 11.2808 7.1589 8.00777 12.9551 12.5072 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69052 9.33865 6.11741 13.8473 10.9739 7.76729 12.9821 17.6696 10.7942 7.21418 10.9766 5.74857 10.0289 6.08806 15.4804 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 8.18495 7.11802 13.268 12.6651 12.2037 7.92688 17.2931 15.1694 4.68409 5.74088 10.5656 6.76699 11.1595 8.28698 12.72 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 5.41704 8.79571 8.6355 5.42582 6.17103 8.46636 13.9396 5.53031 10.1537 15.2647 11.9544 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 5.41704 5.42582 8.79571 8.6355 6.17103 9.4027 10.873 8.20836 13.846 5.12325 9.65798 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 5.41704 5.42582 8.6355 8.79571 6.17103 8.46636 10.1537 5.53031 13.9396 15.2647 11.9544 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 5.41704 8.6355 8.79571 5.42582 10.1448 9.4027 13.846 8.20836 10.873 13.1292 9.65798 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 7.65448 8.56324 10.399 14.1618 8.25411 9.13561 12.4808 14.1119 5.99333 5.59336 10.4911 8.35555 13.0858 7.2238 10.7604 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 5.49936 7.16148 8.87437 8.05741 8.25411 9.13561 12.4808 14.1119 7.89109 5.59336 10.4911 8.35555 13.0858 10.9728 10.7604 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 10.6875 8.56324 10.399 14.1618 7.89109 9.13561 12.4808 14.1119 5.99333 10.9728 10.4911 8.35555 13.0858 7.2238 10.7604 numMergedOcc 0
29 mol 152 unq 3 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 5.49936 6.70283 5.87555 8.67331 7.89109 9.13561 12.4808 14.1119 8.25411 10.9728 10.4911 8.35555 13.0858 5.59336 10.7604 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 4.39704 7.09863 10.8157 10.4905 6.43754 8.17891 6.95902 12.4085 9.13836 11.0628 8.38865 5.4694 12.9778 12.9587 5.92529 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 4.39704 7.09863 10.8157 11.0431 6.43754 8.17891 6.95902 11.004 9.13836 11.0628 8.38865 5.4694 13.9676 12.9587 5.92529 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 4.39704 7.09863 10.8157 10.0334 6.43754 8.17891 6.95902 12.8864 9.13836 11.0628 8.38865 5.4694 16.9219 12.9587 5.92529 numMergedOcc 0
33 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 4.39704 7.09863 10.0334 10.4905 6.43754 8.17891 12.8864 12.4085 9.13836 10.6244 16.0894 5.87815 13.9889 11.2778 16.7108 numMergedOcc 0
34 mol 227 unq 4 iso 0 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 4.39704 7.09863 10.0334 10.8157 6.43754 8.17891 12.8864 6.95902 9.13836 10.6244 16.0894 5.87815 17.8603 11.2778 16.7108 numMergedOcc 0
35 mol 227 unq 5 iso 0 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 4.39704 7.09863 10.0334 11.0431 6.43754 8.17891 12.8864 11.004 9.13836 10.6244 16.0894 5.87815 10.3595 11.2778 16.7108 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 9.37715 7.66365 14.7097 10.165 4.23801 5.25252 12.322 6.86945 12.2615 6.28227 9.78431 numMergedOcc 0
