0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 12.0193 5.99972 10.6471 13.2247 12.2333 9.36807 12.4827 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 13.2247 10.5461 6.36911 5.03847 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 4.39605 7.48342 10.0974 9.03536 9.97507 7.12903 12.1303 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 9.97507 7.12903 5.90976 12.1303 7.48342 10.0974 9.03536 8.38064 8.21493 4.39605 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 5.30082 6.93532 11.7521 6.92781 6.31718 5.47769 10.4366 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 5.05803 7.03948 6.2983 5.30082 6.93532 11.7521 10.7015 10.9143 6.58035 15.1671 numMergedOcc 0
6 mol 16 unq 2 iso 0 dist 6.31718 5.47769 6.2983 10.4366 6.93532 11.7521 6.92781 5.05803 7.03948 5.30082 numMergedOcc 0
7 mol 16 unq 3 iso 0 dist 6.31718 5.47769 6.2983 10.4366 6.93532 11.7521 5.32694 10.9143 6.58035 15.1671 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 4.96411 7.75618 7.02548 7.07775 6.864 8.58657 7.08342 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 7.83352 9.78944 6.00439 6.42867 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 7.67038 4.54938 7.82528 4.97119 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 4.97119 6.41575 11.3136 5.03957 7.82074 8.73972 6.01808 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 10.8007 9.78944 6.00439 6.42867 numMergedOcc 0
13 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 7.67038 8.4674 6.20943 4.64838 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 7.82074 8.73972 6.55187 6.01808 6.41575 11.3136 5.03957 4.54938 8.23643 4.97119 numMergedOcc 0
15 mol 19 unq 7 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 7.83352 9.56313 6.00439 6.42867 numMergedOcc 0
16 mol 19 unq 8 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 7.67038 6.864 7.82528 4.97119 numMergedOcc 0
17 mol 19 unq 9 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 7.07775 10.4091 9.80108 4.96411 numMergedOcc 0
18 mol 19 unq 10 iso 0 dist 6.864 8.23643 12.3093 4.97119 6.41423 11.3136 5.03957 11.0366 8.73972 6.01808 numMergedOcc 0
19 mol 19 unq 11 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 10.8007 9.56313 6.00439 6.42867 numMergedOcc 0
20 mol 19 unq 12 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 7.67038 4.51865 6.20943 4.64838 numMergedOcc 0
21 mol 19 unq 13 iso 0 dist 6.864 8.58657 5.5841 7.08342 7.75618 7.02548 7.07775 7.20519 9.80108 4.96411 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 7.12541 7.21955 8.71468 11.0466 13.4544 7.58407 11.387 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 7.12541 7.21955 8.71468 5.90225 9.55426 6.31428 5.74871 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 5.35073 6.35756 8.89374 5.49591 numMergedOcc 0
25 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 10.8153 10.3224 6.46761 5.85698 numMergedOcc 0
26 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 14.5953 15.4557 9.73139 12.2123 numMergedOcc 0
27 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 5.35073 6.86465 8.63333 10.2049 numMergedOcc 0
28 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 8.62958 10.3224 6.46761 5.85698 numMergedOcc 0
29 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 14.176 15.4557 9.73139 12.2123 numMergedOcc 0
30 mol 58 unq 8 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 14.5953 20.7459 8.63333 20.2165 numMergedOcc 0
31 mol 58 unq 9 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 14.176 20.984 8.89374 19.69 numMergedOcc 0
32 mol 58 unq 10 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 6.47414 13.4544 6.46761 11.387 numMergedOcc 0
33 mol 58 unq 11 iso 0 dist 9.55426 6.31428 6.75888 5.74871 7.21955 8.71468 5.90225 7.32874 6.40841 7.12541 numMergedOcc 0
34 mol 58 unq 12 iso 0 dist 9.55426 6.31428 6.75888 5.74871 7.21955 8.71468 6.47414 13.4544 7.58407 11.387 numMergedOcc 0
35 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 6.21578 9.97159 9.32552 10.6748 14.5656 9.54144 11.4485 numMergedOcc 0
36 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 5.11416 9.24757 7.10439 7.4697 11.4799 5.64598 8.44406 numMergedOcc 0
37 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 5.11416 9.24757 7.10439 5.4148 6.19304 4.65521 6.56633 numMergedOcc 0
38 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 6.56633 9.24757 7.10439 5.4148 9.96396 8.70133 5.11416 numMergedOcc 0
39 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 6.56633 9.24757 7.10439 5.7113 11.4799 5.64598 8.44406 numMergedOcc 0
40 mol 75 unq 0 iso 0 dist 7.79912 5.15851 10.0425 11.4997 9.81166 13.1026 9.02771 11.673 6.33365 9.79588 numMergedOcc 0
41 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 9.29301 9.82915 10.0297 6.9948 7.47541 7.22293 13.5116 numMergedOcc 0
42 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 13.5116 9.82915 10.0297 6.9948 7.97049 9.47876 9.29301 numMergedOcc 0
43 mol 85 unq 2 iso 0 dist 6.19965 9.47876 11.6116 8.09967 7.54568 11.8261 6.9948 7.66905 7.22293 4.65335 numMergedOcc 0
44 mol 85 unq 3 iso 0 dist 7.66905 7.22293 11.6116 4.65335 7.54568 11.8261 6.9948 6.19965 9.47876 8.09967 numMergedOcc 0
45 mol 85 unq 4 iso 0 dist 5.73196 7.22293 6.47779 4.65335 9.39864 11.8261 6.9948 11.2656 9.47876 8.09967 numMergedOcc 0
46 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 5.02055 11.862 7.06013 11.3858 numMergedOcc 0
47 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 8.95922 6.82344 9.70512 7.56363 numMergedOcc 0
48 mol 92 unq 2 iso 0 dist 7.4729 5.81965 6.99832 12.7565 7.38677 10.8154 5.02055 11.862 7.06013 16.0766 numMergedOcc 0
49 mol 92 unq 3 iso 0 dist 7.4729 5.81965 6.99832 12.7565 7.38677 10.8154 8.95922 6.82344 9.70512 5.91004 numMergedOcc 0
50 mol 92 unq 4 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 8.95922 7.4729 5.81965 9.50382 numMergedOcc 0
51 mol 92 unq 5 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 12.4494 11.862 7.06013 11.3858 numMergedOcc 0
52 mol 92 unq 6 iso 0 dist 6.82344 9.70512 6.99832 5.91004 7.38677 10.8154 8.95922 7.4729 5.81965 12.7565 numMergedOcc 0
53 mol 92 unq 7 iso 0 dist 6.82344 9.70512 6.99832 5.91004 7.38677 10.8154 12.4494 11.862 7.06013 16.0766 numMergedOcc 0
54 mol 100 unq 0 iso 0 dist 7.17106 6.58204 5.01145 10.6848 7.10378 11.9163 5.88134 10.5134 7.75343 15.3454 numMergedOcc 0
55 mol 100 unq 1 iso 0 dist 7.47343 7.75343 15.209 11.2312 7.38135 18.081 5.88134 12.0662 6.58204 14.2012 numMergedOcc 0
56 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 11.6667 16.7981 7.39889 16.2264 numMergedOcc 0
57 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 7.20179 6.52773 11.8717 12.4603 12.6489 7.44174 10.9441 numMergedOcc 0
58 mol 119 unq 2 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 11.6667 16.7981 7.39889 19.552 numMergedOcc 0
59 mol 119 unq 3 iso 0 dist 8.73993 9.63176 10.6679 9.89358 9.23858 15.8603 12.4603 12.6489 7.44174 20.1288 numMergedOcc 0
60 mol 119 unq 4 iso 0 dist 9.87172 6.19042 6.35763 10.9441 9.11344 11.1099 9.22558 10.1813 8.43904 6.42402 numMergedOcc 0
61 mol 119 unq 5 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 11.3169 14.5183 7.39889 16.2264 numMergedOcc 0
62 mol 119 unq 6 iso 0 dist 9.87172 7.44174 7.36192 10.9441 9.11344 11.8717 12.4603 10.3704 9.63176 7.20179 numMergedOcc 0
63 mol 119 unq 7 iso 0 dist 6.18601 8.43904 10.3457 10.4376 8.00003 16.109 9.22558 13.9919 6.19042 18.5424 numMergedOcc 0
64 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 6.0268 6.30546 7.36017 7.12167 12.1593 9.06011 10.1326 numMergedOcc 0
65 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 8.23791 9.90168 11.4282 6.63273 6.85062 6.91348 13.7237 numMergedOcc 0
66 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 13.7237 9.90168 11.4282 6.63273 7.12972 8.6243 8.23791 numMergedOcc 0
67 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 5.71679 7.69991 8.73604 8.80819 11.9139 8.79571 4.57832 numMergedOcc 0
68 mol 134 unq 1 iso 0 dist 6.54501 8.6355 10.1448 5.71679 7.69991 8.73604 5.00817 9.5126 5.42582 5.29786 numMergedOcc 0
69 mol 134 unq 2 iso 0 dist 8.94367 8.79571 5.41704 4.57832 6.23142 8.73604 5.49782 6.37586 5.42582 5.29786 numMergedOcc 0
70 mol 134 unq 3 iso 0 dist 8.94367 8.79571 5.41704 4.57832 6.23142 8.73604 8.80819 6.49416 8.6355 5.71679 numMergedOcc 0
71 mol 134 unq 4 iso 0 dist 6.37586 5.42582 5.41704 5.29786 6.23142 8.73604 5.49782 8.94367 8.79571 4.57832 numMergedOcc 0
72 mol 134 unq 5 iso 0 dist 6.37586 5.42582 5.41704 5.29786 6.23142 8.73604 5.00817 6.49416 8.6355 5.71679 numMergedOcc 0
73 mol 134 unq 6 iso 0 dist 6.49416 8.6355 5.41704 5.71679 6.23142 8.73604 8.80819 8.94367 8.79571 4.57832 numMergedOcc 0
74 mol 134 unq 7 iso 0 dist 6.49416 8.6355 5.41704 5.71679 6.23142 8.73604 5.00817 6.37586 5.42582 5.29786 numMergedOcc 0
75 mol 134 unq 8 iso 0 dist 9.86662 8.79571 6.17103 4.57832 9.94764 8.73604 5.49782 9.71307 5.42582 5.29786 numMergedOcc 0
76 mol 134 unq 9 iso 0 dist 9.86662 8.79571 6.17103 4.57832 9.94764 8.73604 8.80819 12.5075 8.6355 5.71679 numMergedOcc 0
77 mol 134 unq 10 iso 0 dist 9.71307 5.42582 6.17103 5.29786 9.94764 8.73604 5.49782 9.86662 8.79571 4.57832 numMergedOcc 0
78 mol 134 unq 11 iso 0 dist 9.71307 5.42582 6.17103 5.29786 9.94764 8.73604 5.00817 12.5075 8.6355 5.71679 numMergedOcc 0
79 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 5.50031 7.92304 13.3276 5.71071 10.2463 7.16254 11.0769 numMergedOcc 0
80 mol 155 unq 1 iso 0 dist 6.43582 7.51198 6.34186 5.50031 7.92304 9.80845 5.71071 10.2463 9.86313 11.0769 numMergedOcc 0
81 mol 156 unq 0 iso 0 dist 7.44554 9.36805 6.29785 5.71511 9.4013 10.735 5.76755 10.4649 8.47155 8.63358 numMergedOcc 0
82 mol 156 unq 1 iso 0 dist 7.44554 9.36805 6.29785 5.71511 9.4013 10.735 8.38403 9.83699 7.55203 5.80008 numMergedOcc 0
83 mol 156 unq 2 iso 0 dist 9.83699 7.55203 6.29785 5.80008 9.4013 10.735 7.60354 10.4649 8.47155 8.63358 numMergedOcc 0
84 mol 156 unq 3 iso 0 dist 9.83699 7.55203 6.29785 5.80008 9.4013 10.735 8.38403 7.44554 9.36805 5.71511 numMergedOcc 0
85 mol 175 unq 0 iso 0 dist 6.57069 9.8589 7.5414 8.29015 9.77896 5.4997 7.42466 10.2623 7.24908 4.63177 numMergedOcc 0
86 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 6.35849 7.43071 12.2922 5.22356 8.65997 6.95902 10.204 numMergedOcc 0
87 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 10.9607 5.41321 7.57454 5.22356 8.65997 6.95902 9.72615 numMergedOcc 0
88 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 10.204 7.43071 12.2922 5.22356 7.22101 8.17891 6.35849 numMergedOcc 0
89 mol 227 unq 3 iso 0 dist 8.65997 6.95902 6.43754 9.72615 5.41321 7.57454 5.22356 7.22101 8.17891 10.9607 numMergedOcc 0
90 mol 227 unq 4 iso 0 dist 7.09863 8.17891 9.13836 6.35849 6.02296 12.2922 5.22356 10.8157 6.95902 10.204 numMergedOcc 0
91 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 8.81835 7.98231 8.71497 12.5353 15.9169 8.37865 8.75685 numMergedOcc 0
92 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 8.81835 7.08526 8.71497 12.5353 11.858 8.37865 8.75685 numMergedOcc 0
93 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 5.65568 9.0975 11.0343 5.39891 6.33524 7.32347 5.0324 numMergedOcc 0
94 mol 282 unq 1 iso 0 dist 8.04483 6.85028 6.3384 5.65568 9.0975 11.0343 7.76539 13.5481 8.3411 12.4748 numMergedOcc 0
95 mol 282 unq 2 iso 0 dist 6.33524 7.32347 6.3384 5.0324 9.0975 11.0343 5.39891 8.04483 6.85028 5.65568 numMergedOcc 0
96 mol 282 unq 3 iso 0 dist 6.33524 7.32347 6.3384 5.0324 9.0975 11.0343 10.5372 13.5481 8.3411 12.4748 numMergedOcc 0
