0 mol 7 unq 0 iso 0 dist 8.57437 17.7278 9.85726 15.262 11.5784 9.60499 11.4767 5.25379 6.7985 6.55304 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 17.7278 9.85726 15.262 11.5784 9.60499 13.6036 5.03532 6.44736 12.2869 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.01162 9.88291 6.59893 11.0361 11.9881 9.5589 11.3153 8.02105 7.21717 15.293 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 5.01162 9.88291 6.59893 11.4465 10.3564 6.83299 11.3153 8.02105 7.21717 13.86 numMergedOcc 0
4 mol 54 unq 2 iso 0 dist 5.01162 9.88291 6.59893 16.0531 12.4254 8.10861 11.3153 8.02105 7.21717 5.99981 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 5.70814 6.8958 6.48625 7.7978 6.34264 7.17396 12.9886 9.97686 8.08618 6.90592 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 5.70814 6.8958 6.48625 10.3954 5.30842 9.21998 12.9886 9.97686 8.08618 7.6021 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 5.58384 5.85228 6.48625 9.55751 6.34264 7.17396 13.0785 9.97686 8.08618 6.90592 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 5.58384 5.85228 6.48625 10.7234 5.30842 9.21998 13.0785 9.97686 8.08618 7.6021 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.58346 4.69583 6.89722 11.0671 10.4716 9.96396 9.54477 11.5412 9.24757 5.11416 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.58346 4.69583 6.89722 6.18305 5.2774 6.19304 9.54477 11.5412 9.24757 6.56633 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 5.58346 4.69583 6.89722 13.2599 13.9156 8.70481 9.54477 11.5412 9.24757 15.3808 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.10386 4.69583 7.26679 11.0671 8.31041 9.96396 9.54477 11.2253 9.24757 5.11416 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 9.10386 4.69583 7.26679 6.18305 5.44275 6.19304 9.54477 11.2253 9.24757 6.56633 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 9.10386 4.69583 7.26679 13.2599 11.2674 8.70481 9.54477 11.2253 9.24757 15.3808 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 9.66744 8.59095 6.89722 17.4799 10.4716 9.96396 17.7136 11.5412 9.24757 5.11416 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 9.66744 8.59095 6.89722 12.9661 5.2774 6.19304 17.7136 11.5412 9.24757 6.56633 numMergedOcc 0
17 mol 73 unq 8 iso 0 dist 9.66744 8.59095 6.89722 10.1147 13.9156 8.70481 17.7136 11.5412 9.24757 15.3808 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 6.78043 7.17015 4.98104 13.8155 10.7572 7.4729 13.0999 9.52463 6.95572 9.50382 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 6.78043 7.17015 4.98104 13.8155 10.7572 7.4729 10.7591 6.07224 7.38677 12.7565 numMergedOcc 0
20 mol 92 unq 2 iso 0 dist 6.78043 7.17015 4.98104 11.9838 5.50764 6.82344 13.0999 9.52463 6.95572 7.56363 numMergedOcc 0
21 mol 92 unq 3 iso 0 dist 6.78043 7.17015 4.98104 11.9838 5.50764 6.82344 10.7591 6.07224 7.38677 5.91004 numMergedOcc 0
22 mol 92 unq 4 iso 0 dist 5.74364 4.52119 4.98104 11.8917 10.7572 7.4729 9.18898 9.52463 6.95572 9.50382 numMergedOcc 0
23 mol 92 unq 5 iso 0 dist 5.74364 4.52119 4.98104 11.8917 10.7572 7.4729 7.67331 6.07224 7.38677 12.7565 numMergedOcc 0
24 mol 92 unq 6 iso 0 dist 5.74364 4.52119 4.98104 9.79361 5.50764 6.82344 9.18898 9.52463 6.95572 7.56363 numMergedOcc 0
25 mol 92 unq 7 iso 0 dist 5.74364 4.52119 4.98104 9.79361 5.50764 6.82344 7.67331 6.07224 7.38677 5.91004 numMergedOcc 0
26 mol 102 unq 0 iso 0 dist 8.07962 8.58092 9.01767 11.1118 6.42572 7.36792 15.1709 10.4216 8.31932 7.42011 numMergedOcc 0
27 mol 102 unq 1 iso 0 dist 9.54857 8.58092 9.80678 11.1118 5.54551 7.36792 15.1709 12.8733 8.31932 7.42011 numMergedOcc 0
28 mol 102 unq 2 iso 0 dist 7.58908 12.5781 9.01767 12.0912 6.42572 7.36792 17.3345 10.4216 8.31932 7.42011 numMergedOcc 0
29 mol 102 unq 3 iso 0 dist 9.32058 12.5781 9.80678 12.0912 5.54551 7.36792 17.3345 12.8733 8.31932 7.42011 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.67306 8.8283 9.42766 16.7151 14.0677 8.73993 13.8424 13.1831 6.52773 7.20179 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 6.67306 8.8283 9.42766 16.7151 14.0677 8.73993 11.519 6.34278 9.23858 9.89358 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.21256 13.46 6.11955 9.84918 7.96098 6.80239 9.58772 4.7146 5.87634 4.54648 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 8.3243 13.7612 6.11955 11.3707 7.96098 6.80239 9.04845 4.7146 5.87634 4.54648 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 8.95239 12.9605 6.11955 11.8159 7.96098 6.80239 7.94325 4.7146 5.87634 4.54648 numMergedOcc 0
35 mol 133 unq 3 iso 0 dist 6.23615 4.64588 6.11955 5.82404 7.96098 6.80239 6.72323 4.7146 5.87634 4.54648 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 4.96259 4.11061 6.00053 11.5719 11.1879 8.03334 10.5689 10.8517 6.46704 4.43096 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 4.96259 4.11061 6.00053 11.5719 11.1879 8.03334 6.95568 5.87168 6.59025 8.04639 numMergedOcc 0
38 mol 197 unq 0 iso 0 dist 5.79753 13.0113 8.64255 16.0185 11.8861 8.56633 10.4552 4.91904 7.50013 8.46623 numMergedOcc 0
39 mol 197 unq 1 iso 0 dist 5.79753 13.0113 8.64255 16.0185 11.8861 8.56633 13.1777 7.59634 5.81233 10.7305 numMergedOcc 0
40 mol 197 unq 2 iso 0 dist 5.79753 13.0113 8.64255 16.0185 11.8861 8.56633 13.081 10.3181 6.92924 5.41996 numMergedOcc 0
41 mol 197 unq 3 iso 0 dist 5.79753 13.0113 8.64255 16.0185 11.8861 8.56633 19.1389 14.2718 7.14306 6.64537 numMergedOcc 0
42 mol 197 unq 4 iso 0 dist 7.56537 4.57437 8.64255 12.5442 11.8861 8.56633 8.98598 4.91904 7.50013 8.46623 numMergedOcc 0
43 mol 197 unq 5 iso 0 dist 7.56537 4.57437 8.64255 12.5442 11.8861 8.56633 7.06689 7.59634 5.81233 10.7305 numMergedOcc 0
44 mol 197 unq 6 iso 0 dist 7.56537 4.57437 8.64255 12.5442 11.8861 8.56633 9.69601 10.3181 6.92924 5.41996 numMergedOcc 0
45 mol 197 unq 7 iso 0 dist 7.56537 4.57437 8.64255 12.5442 11.8861 8.56633 11.6502 14.2718 7.14306 6.64537 numMergedOcc 0
46 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 13.2374 12.4616 9.61492 5.86419 5.42117 4.8668 9.13652 numMergedOcc 0
47 mol 205 unq 1 iso 0 dist 6.09754 4.78067 8.43584 9.34594 10.6123 7.45763 5.86419 5.42117 4.8668 5.8535 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 4.90407 5.44171 5.00515 10.0587 5.16023 8.41436 9.19443 6.63685 6.30154 7.44558 numMergedOcc 0
49 mol 234 unq 1 iso 0 dist 4.90407 5.44171 5.00515 10.0587 5.16023 8.41436 12.5134 10.6768 7.32499 10.7902 numMergedOcc 0
50 mol 234 unq 2 iso 0 dist 4.90407 5.44171 5.00515 13.3065 10.2063 8.92474 9.19443 6.63685 6.30154 10.9712 numMergedOcc 0
51 mol 234 unq 3 iso 0 dist 4.90407 5.44171 5.00515 13.3065 10.2063 8.92474 12.5134 10.6768 7.32499 4.4288 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 9.91921 4.7157 9.31417 6.2365 6.62361 5.72887 12.6054 16.7165 9.24557 14.7883 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 8.20243 4.7157 5.56719 6.2365 5.96552 5.72887 12.6054 11.9863 9.24557 14.7883 numMergedOcc 0
54 mol 241 unq 0 iso 0 dist 8.15897 9.87799 9.72526 9.18476 4.86437 7.4631 12.949 7.18308 7.89524 4.45049 numMergedOcc 0
55 mol 258 unq 0 iso 0 dist 9.4886 11.9201 5.81927 18.1487 9.49027 6.97229 15.7189 7.15953 7.6595 6.7919 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 5.22111 5.41945 7.93997 10.5892 14.8465 7.46176 8.90398 10.9643 7.08526 8.81835 numMergedOcc 0
57 mol 259 unq 1 iso 0 dist 8.53598 10.2837 7.93997 13.5637 14.8465 7.46176 13.1824 10.9643 7.08526 8.81835 numMergedOcc 0
58 mol 278 unq 0 iso 0 dist 6.83278 13.5373 9.82774 16.7479 10.5903 8.44326 18.0863 11.9007 8.00673 4.97614 numMergedOcc 0
