0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 7.12903 5.90976 5.51916 9.03536 8.38064 10.4158 8.21493 12.1303 7.48342 11.2317 10.0974 4.39605 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 10.4366 6.93532 16.9082 11.7521 5.30082 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 4.64838 6.41575 6.41423 5.82366 4.97119 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 10.3915 7.82074 11.0366 10.2708 4.64838 6.41575 6.41423 5.82366 6.01808 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 7.67038 8.4674 10.4091 13.4721 4.97119 6.41575 10.741 13.1234 4.64838 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 5.03957 7.82074 12.1187 12.6444 4.97119 6.41575 10.741 13.1234 6.01808 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.67038 8.4674 10.4091 14.6255 4.97119 6.41575 10.741 11.3136 4.64838 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 5.03957 7.82074 12.1187 8.73972 4.97119 6.41575 10.741 11.3136 6.01808 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.67038 8.4674 10.4091 6.20943 4.97119 6.41575 10.741 5.82366 4.64838 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 5.03957 7.82074 12.1187 10.2708 4.97119 6.41575 10.741 5.82366 6.01808 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 7.67038 8.4674 4.51865 13.4721 4.97119 6.41575 6.41423 13.1234 4.64838 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 5.03957 7.82074 11.0366 12.6444 4.97119 6.41575 6.41423 13.1234 6.01808 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.67038 8.4674 4.51865 14.6255 4.97119 6.41575 6.41423 11.3136 4.64838 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 5.03957 7.82074 11.0366 8.73972 4.97119 6.41575 6.41423 11.3136 6.01808 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.67038 8.4674 4.51865 6.20943 4.97119 6.41575 6.41423 5.82366 4.64838 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 5.03957 7.82074 11.0366 10.2708 4.97119 6.41575 6.41423 5.82366 6.01808 numMergedOcc 0
16 mol 19 unq 14 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 4.64838 6.41423 6.41575 5.82366 4.97119 numMergedOcc 0
17 mol 19 unq 15 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 5.80928 8.4674 4.54938 9.58539 7.08342 8.40416 7.75618 7.02548 9.74255 numMergedOcc 0
18 mol 19 unq 16 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 7.67038 4.51865 10.4091 13.4721 4.97119 6.41423 10.741 13.1234 4.64838 numMergedOcc 0
19 mol 19 unq 17 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.67038 4.51865 10.4091 14.6255 4.97119 6.41423 10.741 11.3136 4.64838 numMergedOcc 0
20 mol 19 unq 18 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.67038 4.51865 10.4091 6.20943 4.97119 6.41423 10.741 5.82366 4.64838 numMergedOcc 0
21 mol 19 unq 19 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.67038 4.51865 8.4674 13.4721 4.97119 6.41423 6.41575 13.1234 4.64838 numMergedOcc 0
22 mol 19 unq 20 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.67038 4.51865 8.4674 14.6255 4.97119 6.41423 6.41575 11.3136 4.64838 numMergedOcc 0
23 mol 19 unq 21 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.67038 4.51865 8.4674 6.20943 4.97119 6.41423 6.41575 5.82366 4.64838 numMergedOcc 0
24 mol 19 unq 22 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.07775 7.20519 10.4091 9.80108 7.08342 7.75618 8.40416 7.02548 4.96411 numMergedOcc 0
25 mol 19 unq 23 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 5.80928 4.54938 8.4674 9.58539 7.08342 7.75618 8.40416 7.02548 9.74255 numMergedOcc 0
26 mol 58 unq 0 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 5.74871 7.21955 12.3035 14.2645 7.09066 numMergedOcc 0
27 mol 58 unq 1 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 5.74871 7.21955 12.3035 14.2645 7.12541 numMergedOcc 0
28 mol 58 unq 2 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 5.74871 7.21955 12.3035 8.71468 7.09066 numMergedOcc 0
29 mol 58 unq 3 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 5.74871 7.21955 12.3035 8.71468 7.12541 numMergedOcc 0
30 mol 59 unq 0 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 12.5396 8.84665 17.79 12.8699 9.64444 6.73347 14.8852 9.2902 4.36133 numMergedOcc 0
31 mol 59 unq 1 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 8.19458 8.25513 14.0127 11.6249 9.64444 6.73347 14.8852 9.2902 6.66692 numMergedOcc 0
32 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 10.7394 8.8178 9.84449 13.3133 11.6378 9.27838 16.0048 13.1462 15.434 numMergedOcc 0
33 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 5.11416 9.24757 13.8696 7.10439 6.56633 numMergedOcc 0
34 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 5.11416 9.24757 13.8696 7.10439 15.3808 numMergedOcc 0
35 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 5.11416 9.24757 13.0145 7.10439 6.56633 numMergedOcc 0
36 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 5.11416 9.24757 13.0145 7.10439 15.3808 numMergedOcc 0
37 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 6.9948 7.47541 7.66905 7.22293 9.29301 9.82915 12.0078 10.0297 13.5116 numMergedOcc 0
38 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 6.9948 7.97049 6.19965 9.47876 13.5116 9.82915 12.0078 10.0297 9.29301 numMergedOcc 0
39 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 6.9948 7.97049 11.2656 9.47876 13.5116 9.82915 14.4382 10.0297 9.29301 numMergedOcc 0
40 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 4.26409 7.95579 11.3023 13.6587 8.09967 7.54568 10.0796 11.8261 10.2865 numMergedOcc 0
41 mol 85 unq 4 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 6.9948 7.66905 7.47541 7.22293 8.09967 7.54568 10.0796 11.8261 4.65335 numMergedOcc 0
42 mol 85 unq 5 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 10.7229 7.95579 11.3023 13.6587 4.65335 7.54568 10.0796 11.8261 10.2865 numMergedOcc 0
43 mol 85 unq 6 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 6.9948 6.19965 7.97049 9.47876 4.65335 7.54568 10.0796 11.8261 8.09967 numMergedOcc 0
44 mol 85 unq 7 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 10.7229 7.95579 15.309 13.6587 4.65335 7.54568 9.39864 11.8261 10.2865 numMergedOcc 0
45 mol 85 unq 8 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 6.9948 6.19965 11.2656 9.47876 4.65335 7.54568 9.39864 11.8261 8.09967 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 12.2861 8.30845 10.6086 9.44658 5.80144 numMergedOcc 0
47 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 15.5385 8.76378 13.2102 18.5425 12.3577 numMergedOcc 0
48 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 12.6515 6.56369 11.8665 15.8984 12.2861 8.30845 10.6086 9.44658 10.0456 numMergedOcc 0
49 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 12.6515 6.56369 11.8665 15.8984 15.5385 8.76378 13.2102 18.5425 4.97045 numMergedOcc 0
50 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 13.887 9.30209 13.912 14.8726 12.2861 8.30845 10.6086 9.44658 6.70236 numMergedOcc 0
51 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 13.887 9.30209 13.912 14.8726 15.5385 8.76378 13.2102 18.5425 10.7791 numMergedOcc 0
52 mol 100 unq 6 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 12.2861 8.30845 18.1777 9.44658 5.80144 numMergedOcc 0
53 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 15.5385 8.76378 14.0386 18.5425 12.3577 numMergedOcc 0
54 mol 100 unq 8 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 12.6515 6.56369 13.6959 15.8984 12.2861 8.30845 18.1777 9.44658 10.0456 numMergedOcc 0
55 mol 100 unq 9 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 12.6515 6.56369 13.6959 15.8984 15.5385 8.76378 14.0386 18.5425 4.97045 numMergedOcc 0
56 mol 100 unq 10 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 13.887 9.30209 18.2109 14.8726 12.2861 8.30845 18.1777 9.44658 6.70236 numMergedOcc 0
57 mol 100 unq 11 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 13.887 9.30209 18.2109 14.8726 15.5385 8.76378 14.0386 18.5425 10.7791 numMergedOcc 0
58 mol 100 unq 12 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.33144 6.45675 10.1409 11.8016 11.2312 7.38135 15.4031 18.081 7.11701 numMergedOcc 0
59 mol 100 unq 13 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 10.1407 8.86688 14.9102 15.6924 11.2312 7.38135 15.4031 18.081 7.79768 numMergedOcc 0
60 mol 100 unq 14 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.33144 6.45675 11.8665 11.8016 11.2312 7.38135 17.2419 18.081 7.11701 numMergedOcc 0
61 mol 100 unq 15 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 10.1407 8.86688 13.6959 15.6924 11.2312 7.38135 17.2419 18.081 7.79768 numMergedOcc 0
62 mol 100 unq 16 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.33144 6.45675 13.912 11.8016 11.2312 7.38135 19.8941 18.081 7.11701 numMergedOcc 0
63 mol 100 unq 17 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 10.1407 8.86688 18.2109 15.6924 11.2312 7.38135 19.8941 18.081 7.79768 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.79898 9.89303 9.93925 12.0514 5.71679 7.69991 6.23142 8.73604 4.60632 numMergedOcc 0
65 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 4.57832 6.23142 9.94764 8.73604 5.29786 numMergedOcc 0
66 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.80819 6.49416 12.5075 8.6355 4.57832 6.23142 9.94764 8.73604 5.71679 numMergedOcc 0
67 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 5.29786 6.23142 9.94764 8.73604 4.57832 numMergedOcc 0
68 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.00817 6.49416 12.5075 8.6355 5.29786 6.23142 9.94764 8.73604 5.71679 numMergedOcc 0
69 mol 134 unq 5 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 5.71679 6.23142 7.69991 8.73604 4.57832 numMergedOcc 0
70 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 5.71679 6.23142 7.69991 8.73604 5.29786 numMergedOcc 0
71 mol 134 unq 7 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 4.57832 9.94764 6.23142 8.73604 5.29786 numMergedOcc 0
72 mol 134 unq 8 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 5.29786 9.94764 6.23142 8.73604 4.57832 numMergedOcc 0
73 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 10.1658 7.66148 12.0598 10.9818 5.4555 7.90267 9.44367 5.81122 6.03934 numMergedOcc 0
74 mol 156 unq 1 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 10.1658 7.66148 15.1382 10.9818 5.4555 7.90267 10.3379 5.81122 6.03934 numMergedOcc 0
75 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 13.2049 8.03334 10.7062 12.1309 6.6251 6.2479 7.99195 9.06217 7.81713 numMergedOcc 0
76 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 13.2049 8.03334 10.7062 12.2058 6.6251 6.2479 7.99195 7.13252 7.81713 numMergedOcc 0
77 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 13.2049 8.03334 14.9794 12.1309 6.6251 6.2479 12.8533 9.06217 7.81713 numMergedOcc 0
78 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 13.2049 8.03334 14.9794 12.2058 6.6251 6.2479 12.8533 7.13252 7.81713 numMergedOcc 0
79 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 10.1912 9.09537 15.0228 14.4632 5.6044 9.72611 14.2254 10.3766 12.9468 numMergedOcc 0
80 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 10.1912 9.09537 15.0228 14.4632 6.6251 7.99195 6.2479 9.06217 10.09 numMergedOcc 0
81 mol 181 unq 6 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 10.1912 9.09537 15.0228 15.4777 5.6044 9.72611 14.2254 10.7723 12.9468 numMergedOcc 0
82 mol 181 unq 7 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 10.1912 9.09537 15.0228 15.4777 6.6251 7.99195 6.2479 7.13252 10.09 numMergedOcc 0
83 mol 181 unq 8 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 10.1912 9.09537 12.9862 14.4632 5.6044 9.72611 10.428 10.3766 12.9468 numMergedOcc 0
84 mol 181 unq 9 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 10.1912 9.09537 12.9862 14.4632 6.6251 7.99195 12.8533 9.06217 10.09 numMergedOcc 0
85 mol 181 unq 10 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 10.1912 9.09537 12.9862 15.4777 5.6044 9.72611 10.428 10.7723 12.9468 numMergedOcc 0
86 mol 181 unq 11 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 10.1912 9.09537 12.9862 15.4777 6.6251 7.99195 12.8533 7.13252 10.09 numMergedOcc 0
87 mol 181 unq 12 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 8.88798 9.1374 15.0228 10.2276 9.81073 8.90963 18.0578 13.6646 8.91338 numMergedOcc 0
88 mol 181 unq 13 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 5.16002 9.15386 12.9862 11.968 9.81073 8.90963 18.0578 13.6646 9.34211 numMergedOcc 0
89 mol 181 unq 14 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 8.88798 9.1374 15.0228 10.7636 9.81073 8.90963 18.0578 15.9219 8.91338 numMergedOcc 0
90 mol 181 unq 15 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 5.16002 9.15386 12.9862 11.8099 9.81073 8.90963 18.0578 15.9219 9.34211 numMergedOcc 0
91 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 6.99063 9.34734 10.4905 12.4085 6.35849 7.43071 6.02296 12.2922 6.00424 numMergedOcc 0
92 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 6.99063 9.34734 10.4905 12.4085 10.9607 5.41321 9.74265 7.57454 10.7656 numMergedOcc 0
93 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 6.35849 7.43071 6.02296 12.2922 10.204 numMergedOcc 0
94 mol 227 unq 3 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 5.22356 8.65997 10.8157 6.95902 10.9607 5.41321 9.74265 7.57454 9.72615 numMergedOcc 0
95 mol 227 unq 4 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.8658 7.56888 11.0431 11.004 6.35849 7.43071 6.02296 12.2922 9.76735 numMergedOcc 0
96 mol 227 unq 5 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.8658 7.56888 11.0431 11.004 10.9607 5.41321 9.74265 7.57454 5.10635 numMergedOcc 0
97 mol 227 unq 6 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 12.4689 7.55216 10.0334 12.8864 6.35849 7.43071 6.02296 12.2922 9.32448 numMergedOcc 0
98 mol 227 unq 7 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 12.4689 7.55216 10.0334 12.8864 10.9607 5.41321 9.74265 7.57454 6.48027 numMergedOcc 0
99 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 4.69778 8.13497 9.95973 10.9591 8.81835 7.98231 11.6972 8.71497 8.41846 numMergedOcc 0
100 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 4.69778 8.13497 10.3935 10.9591 8.81835 7.98231 7.08526 8.71497 8.41846 numMergedOcc 0
101 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 4.69778 8.13497 12.6839 10.9591 8.81835 7.98231 15.8414 8.71497 8.41846 numMergedOcc 0
