0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 10.8455 6.31718 10.9143 16.4009 5.94084 5.47769 6.58035 12.1189 6.2983 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 10.8455 6.31718 16.4009 10.9143 5.94084 5.47769 12.1189 6.58035 6.2983 numMergedOcc 0
2 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 numMergedOcc 0
3 mol 19 unq 0 iso 1 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 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 7.34551 7.20519 10.4091 12.1187 10.9543 8.78293 13.4721 12.6444 5.31524 numMergedOcc 0
5 mol 19 unq 1 iso 1 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 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 7.34551 7.20519 10.4091 12.1187 6.55187 8.23643 14.6255 8.73972 11.0832 numMergedOcc 0
7 mol 19 unq 2 iso 1 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 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 7.34551 7.20519 10.4091 12.1187 5.14627 7.82528 6.20943 10.2708 10.4988 numMergedOcc 0
9 mol 19 unq 3 iso 1 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 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.80928 6.864 4.51865 11.0366 10.9543 8.78293 13.4721 12.6444 11.4401 numMergedOcc 0
11 mol 19 unq 4 iso 1 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 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.80928 6.864 4.51865 11.0366 6.55187 8.23643 14.6255 8.73972 12.3093 numMergedOcc 0
13 mol 19 unq 5 iso 1 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 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.80928 6.864 4.51865 11.0366 5.14627 7.82528 6.20943 10.2708 4.69858 numMergedOcc 0
15 mol 19 unq 6 iso 1 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 numMergedOcc 0
16 mol 19 unq 7 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 7.67038 4.51865 10.4091 8.4674 5.5841 8.58657 9.80108 9.58539 6.74265 numMergedOcc 0
17 mol 19 unq 7 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.67038 4.51865 8.4674 10.4091 5.5841 8.58657 9.58539 9.80108 6.74265 numMergedOcc 0
18 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 numMergedOcc 0
19 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.13395 8.80331 14.7803 10.5523 9.49077 9.83618 13.7177 13.5377 10.4442 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 13.1021 9.73139 15.9764 10.9482 5.24906 numMergedOcc 0
21 mol 58 unq 0 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 13.1021 9.73139 10.9482 15.9764 5.24906 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 10.6169 9.4099 15.2973 11.396 6.75888 6.31428 10.335 6.40841 5.11205 numMergedOcc 0
23 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 10.6169 9.4099 11.396 15.2973 6.75888 6.31428 6.40841 10.335 5.11205 numMergedOcc 0
24 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.25513 8.19458 6.40295 10.0246 6.85766 17.79 14.0127 5.33688 6.71911 12.8699 11.6249 7.29033 numMergedOcc 0
25 mol 59 unq 0 iso 1 dist 7.71095 8.25513 8.19458 8.84665 12.5396 6.40295 10.0246 6.85766 14.0127 17.79 5.33688 6.71911 11.6249 12.8699 7.29033 numMergedOcc 0
26 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 numMergedOcc 0
27 mol 73 unq 0 iso 1 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 numMergedOcc 0
28 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 numMergedOcc 0
29 mol 73 unq 1 iso 1 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 numMergedOcc 0
30 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 numMergedOcc 0
31 mol 85 unq 0 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 5.42586 7.97049 7.47541 11.3023 11.6116 9.47876 7.22293 13.6587 7.98917 numMergedOcc 0
32 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 numMergedOcc 0
33 mol 85 unq 1 iso 1 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 numMergedOcc 0
34 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 numMergedOcc 0
35 mol 85 unq 2 iso 1 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 numMergedOcc 0
36 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 8.8807 6.65086 10.1409 14.9102 15.209 7.75343 11.8016 15.6924 10.9608 numMergedOcc 0
37 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 8.8807 6.65086 14.9102 10.1409 15.209 7.75343 15.6924 11.8016 10.9608 numMergedOcc 0
38 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 12.6515 6.56369 11.8665 13.6959 15.209 7.75343 11.8016 15.6924 5.69137 numMergedOcc 0
39 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 12.6515 6.56369 13.6959 11.8665 15.209 7.75343 15.6924 11.8016 5.69137 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 13.887 9.30209 13.912 18.2109 15.209 7.75343 11.8016 15.6924 9.21622 numMergedOcc 0
41 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 13.887 9.30209 18.2109 13.912 15.209 7.75343 15.6924 11.8016 9.21622 numMergedOcc 0
42 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 10.1589 8.72704 10.5193 15.8984 7.2495 numMergedOcc 0
43 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.33144 6.45675 11.8665 10.1409 10.1589 8.72704 15.8984 10.5193 7.2495 numMergedOcc 0
44 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 10.1589 8.72704 10.5193 15.8984 15.9331 numMergedOcc 0
45 mol 100 unq 4 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1407 8.86688 13.6959 14.9102 10.1589 8.72704 15.8984 10.5193 15.9331 numMergedOcc 0
46 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 10.1589 8.72704 10.5193 14.8726 7.2495 numMergedOcc 0
47 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 5.33144 6.45675 13.912 10.1409 10.1589 8.72704 14.8726 10.5193 7.2495 numMergedOcc 0
48 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 10.1589 8.72704 10.5193 14.8726 15.9331 numMergedOcc 0
49 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1407 8.86688 18.2109 14.9102 10.1589 8.72704 14.8726 10.5193 15.9331 numMergedOcc 0
50 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.33144 6.45675 11.8665 13.912 10.1589 8.72704 15.8984 14.8726 7.2495 numMergedOcc 0
51 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 5.33144 6.45675 13.912 11.8665 10.1589 8.72704 14.8726 15.8984 7.2495 numMergedOcc 0
52 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1407 8.86688 13.6959 18.2109 10.1589 8.72704 15.8984 14.8726 15.9331 numMergedOcc 0
53 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1407 8.86688 18.2109 13.6959 10.1589 8.72704 14.8726 15.8984 15.9331 numMergedOcc 0
54 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69052 9.33865 13.8473 6.11741 10.9739 7.76729 17.6696 12.9821 10.7942 numMergedOcc 0
55 mol 115 unq 0 iso 1 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 numMergedOcc 0
56 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69052 6.11741 13.8473 9.33865 11.7126 6.99777 11.695 13.9977 10.8292 numMergedOcc 0
57 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 11.7126 6.99777 13.9977 11.695 10.8292 numMergedOcc 0
58 mol 115 unq 2 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.69052 6.11741 13.8473 9.33865 4.62962 9.14376 10.0603 9.65429 6.12943 numMergedOcc 0
59 mol 115 unq 2 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 4.62962 9.14376 9.65429 10.0603 6.12943 numMergedOcc 0
60 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 13.1058 9.84395 16.5575 17.163 4.91401 6.62561 7.63616 10.6107 11.3679 numMergedOcc 0
61 mol 117 unq 0 iso 1 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 13.1058 9.84395 17.163 16.5575 4.91401 6.62561 10.6107 7.63616 11.3679 numMergedOcc 0
62 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 numMergedOcc 0
63 mol 133 unq 0 iso 1 dist 8.00618 6.80239 7.79672 6.29155 11.965 7.81217 8.18495 7.11802 12.6651 13.268 12.2037 7.92688 15.1694 17.2931 4.68409 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 5.41704 8.79571 5.42582 8.6355 6.17103 numMergedOcc 0
65 mol 134 unq 0 iso 1 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 numMergedOcc 0
66 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 numMergedOcc 0
67 mol 134 unq 1 iso 1 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 numMergedOcc 0
68 mol 134 unq 2 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 numMergedOcc 0
69 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.00526 6.54501 9.5126 11.9139 5.41704 8.6355 5.42582 8.79571 10.1448 numMergedOcc 0
70 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 numMergedOcc 0
71 mol 152 unq 0 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 7.65448 8.56324 14.1618 10.399 8.25411 9.13561 14.1119 12.4808 5.99333 numMergedOcc 0
72 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 numMergedOcc 0
73 mol 152 unq 1 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 5.49936 7.16148 8.05741 8.87437 8.25411 9.13561 14.1119 12.4808 7.89109 numMergedOcc 0
74 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 numMergedOcc 0
75 mol 152 unq 2 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 10.6875 8.56324 14.1618 10.399 7.89109 9.13561 14.1119 12.4808 5.99333 numMergedOcc 0
76 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 numMergedOcc 0
77 mol 152 unq 3 iso 1 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 5.49936 6.70283 8.67331 5.87555 7.89109 9.13561 14.1119 12.4808 8.25411 numMergedOcc 0
78 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 6.57069 8.16421 5.35493 7.42466 7.652 9.92231 10.2623 11.0415 9.31887 12.816 11.3137 5.0384 numMergedOcc 0
79 mol 175 unq 0 iso 1 dist 9.0018 6.57069 8.16421 5.6234 6.2715 5.35493 7.42466 7.652 10.2623 9.92231 11.0415 9.31887 11.3137 12.816 5.0384 numMergedOcc 0
80 mol 175 unq 1 iso 0 dist 5.6234 9.0018 6.2715 6.57069 5.35493 8.16421 7.42466 9.92231 7.652 10.2623 5.28109 9.0664 10.689 11.5506 7.14477 numMergedOcc 0
81 mol 175 unq 1 iso 1 dist 5.6234 6.57069 5.35493 9.0018 6.2715 8.16421 7.42466 9.92231 10.2623 7.652 5.28109 9.0664 11.5506 10.689 7.14477 numMergedOcc 0
82 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 5.4601 7.20046 10.2276 11.968 6.14208 numMergedOcc 0
83 mol 181 unq 0 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.1912 9.09537 12.9862 15.0228 5.4601 7.20046 11.968 10.2276 6.14208 numMergedOcc 0
84 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 10.1912 9.09537 15.0228 12.9862 10.0524 7.13543 10.7636 11.8099 5.95965 numMergedOcc 0
85 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 10.1912 9.09537 12.9862 15.0228 10.0524 7.13543 11.8099 10.7636 5.95965 numMergedOcc 0
86 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.0744 6.60589 9.99123 9.16166 5.29877 6.65984 6.67585 10.667 6.12232 numMergedOcc 0
87 mol 224 unq 0 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 5.29877 6.65984 10.667 6.67585 6.12232 numMergedOcc 0
88 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.0744 6.57273 10.103 5.78342 6.12232 6.65984 11.0097 10.667 5.29877 numMergedOcc 0
89 mol 224 unq 1 iso 1 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.0744 6.57273 5.78342 10.103 6.12232 6.65984 10.667 11.0097 5.29877 numMergedOcc 0
90 mol 224 unq 2 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 11.5372 8.95269 9.99123 14.0676 5.3621 6.87664 10.8259 10.2775 7.98696 numMergedOcc 0
91 mol 224 unq 2 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 11.5372 8.95269 14.0676 9.99123 5.3621 6.87664 10.2775 10.8259 7.98696 numMergedOcc 0
92 mol 224 unq 3 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 8.49799 6.57273 6.60589 10.5128 5.3621 6.87664 10.8259 10.2775 7.12232 numMergedOcc 0
93 mol 224 unq 3 iso 1 dist 5.78342 5.81334 5.60236 9.16166 5.0744 6.91102 8.49799 6.57273 10.5128 6.60589 5.3621 6.87664 10.2775 10.8259 7.12232 numMergedOcc 0
94 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 4.39704 7.09863 10.4905 10.8157 6.43754 8.17891 12.4085 6.95902 9.13836 numMergedOcc 0
95 mol 227 unq 0 iso 1 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 numMergedOcc 0
96 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 4.39704 7.09863 10.4905 11.0431 6.43754 8.17891 12.4085 11.004 9.13836 numMergedOcc 0
97 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 4.39704 7.09863 11.0431 10.4905 6.43754 8.17891 11.004 12.4085 9.13836 numMergedOcc 0
98 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 4.39704 7.09863 10.4905 10.0334 6.43754 8.17891 12.4085 12.8864 9.13836 numMergedOcc 0
99 mol 227 unq 2 iso 1 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 numMergedOcc 0
100 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 numMergedOcc 0
101 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 4.39704 7.09863 11.0431 10.8157 6.43754 8.17891 11.004 6.95902 9.13836 numMergedOcc 0
102 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 numMergedOcc 0
103 mol 227 unq 2 iso 1 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 numMergedOcc 0
104 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 4.39704 7.09863 11.0431 10.0334 6.43754 8.17891 11.004 12.8864 9.13836 numMergedOcc 0
105 mol 227 unq 2 iso 1 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 numMergedOcc 0
106 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 6.0987 8.1148 8.1715 10.5136 9.37715 7.66365 10.165 14.7097 4.23801 numMergedOcc 0
107 mol 252 unq 0 iso 1 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 numMergedOcc 0
