0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 15.9584 13.2603 9.97624 10.6581 9.0379 5.03847 6.36911 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 6.02702 8.43473 15.9584 13.2603 9.97624 18.3807 15.4949 13.8829 9.36807 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 10.515 9.36807 9.97624 10.5461 13.2247 5.03847 6.36911 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 8.05213 12.2274 8.73067 14.7815 17.503 10.9183 9.53002 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.38064 7.48342 4.39605 6.29685 10.2062 6.50647 9.88835 11.0528 9.75966 9.29358 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 9.97507 7.48342 12.1303 6.29685 15.3099 6.50647 9.88835 16.8845 9.75966 9.29358 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 5.5841 9.80108 7.02548 6.864 7.07775 7.08342 8.58657 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 6.74265 9.58539 7.02548 10.4091 7.34551 4.96411 9.80108 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 8.4674 8.40416 9.74255 6.74265 9.58539 7.02548 4.51865 5.80928 7.08342 8.58657 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 8.4674 6.41575 4.64838 5.14627 6.20943 5.82366 9.78944 7.83352 6.42867 6.00439 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 8.4674 6.41575 4.64838 5.14627 6.20943 5.82366 4.54938 7.67038 4.97119 7.82528 numMergedOcc 0
11 mol 19 unq 5 iso 0 dist 4.54938 7.75618 9.74255 5.5841 9.58539 7.02548 7.20519 7.34551 4.96411 9.80108 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 4.54938 7.75618 9.74255 5.5841 9.58539 7.02548 6.864 5.80928 7.08342 8.58657 numMergedOcc 0
13 mol 19 unq 7 iso 0 dist 4.54938 6.41575 4.97119 5.14627 7.82528 5.82366 9.78944 10.8007 6.42867 6.00439 numMergedOcc 0
14 mol 19 unq 8 iso 0 dist 4.54938 6.41575 4.97119 5.14627 7.82528 5.82366 8.4674 7.67038 4.64838 6.20943 numMergedOcc 0
15 mol 19 unq 9 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 9.78944 10.6598 6.42867 6.00439 numMergedOcc 0
16 mol 19 unq 10 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 8.4674 10.3915 4.64838 6.20943 numMergedOcc 0
17 mol 19 unq 11 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 4.54938 5.03957 4.97119 7.82528 numMergedOcc 0
18 mol 19 unq 12 iso 0 dist 4.51865 8.40416 7.08342 6.74265 8.58657 7.02548 10.4091 7.07775 4.96411 9.80108 numMergedOcc 0
19 mol 19 unq 13 iso 0 dist 4.51865 6.41423 4.64838 4.69858 6.20943 5.82366 9.56313 7.83352 6.42867 6.00439 numMergedOcc 0
20 mol 19 unq 14 iso 0 dist 4.51865 6.41423 4.64838 4.69858 6.20943 5.82366 6.864 7.67038 4.97119 7.82528 numMergedOcc 0
21 mol 19 unq 15 iso 0 dist 6.864 7.75618 7.08342 5.5841 8.58657 7.02548 7.20519 7.07775 4.96411 9.80108 numMergedOcc 0
22 mol 19 unq 16 iso 0 dist 6.864 6.41423 4.97119 4.69858 7.82528 5.82366 9.56313 10.8007 6.42867 6.00439 numMergedOcc 0
23 mol 19 unq 17 iso 0 dist 6.864 6.41423 4.97119 4.69858 7.82528 5.82366 4.51865 7.67038 4.64838 6.20943 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 7.32874 5.47421 7.12541 6.40841 numMergedOcc 0
25 mol 58 unq 1 iso 0 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 13.4544 15.6564 11.387 7.58407 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 9.55426 9.7274 5.74871 6.31428 numMergedOcc 0
27 mol 58 unq 3 iso 0 dist 7.32874 7.21955 7.12541 6.75888 6.40841 8.71468 13.4544 11.0466 11.387 7.58407 numMergedOcc 0
28 mol 58 unq 4 iso 0 dist 7.32874 7.21955 7.12541 6.75888 6.40841 8.71468 9.55426 5.90225 5.74871 6.31428 numMergedOcc 0
29 mol 58 unq 5 iso 0 dist 6.86465 8.80614 10.2049 13.9007 17.4911 7.6481 18.1669 18.6977 9.62267 8.81638 numMergedOcc 0
30 mol 58 unq 6 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 6.35756 5.35073 5.49591 8.89374 numMergedOcc 0
31 mol 58 unq 7 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 10.3224 10.8153 5.85698 6.46761 numMergedOcc 0
32 mol 58 unq 8 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 15.4557 14.5953 12.2123 9.73139 numMergedOcc 0
33 mol 58 unq 9 iso 0 dist 6.62496 8.80614 9.95364 13.9007 16.3613 7.6481 18.1669 19.1436 9.62267 8.81638 numMergedOcc 0
34 mol 58 unq 10 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.86465 5.30792 10.2049 8.63333 numMergedOcc 0
35 mol 58 unq 11 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.35756 4.81926 5.49591 8.89374 numMergedOcc 0
36 mol 58 unq 12 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 10.3224 13.1243 5.85698 6.46761 numMergedOcc 0
37 mol 58 unq 13 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 15.4557 18.3276 12.2123 9.73139 numMergedOcc 0
38 mol 58 unq 14 iso 0 dist 6.35756 8.80614 5.49591 13.9007 12.7237 7.6481 18.1669 14.5118 9.62267 8.81638 numMergedOcc 0
39 mol 58 unq 15 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 6.86465 5.35073 10.2049 8.63333 numMergedOcc 0
40 mol 58 unq 16 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 10.3224 8.62958 5.85698 6.46761 numMergedOcc 0
41 mol 58 unq 17 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 15.4557 14.176 12.2123 9.73139 numMergedOcc 0
42 mol 58 unq 18 iso 0 dist 9.55426 7.21955 5.74871 6.75888 6.31428 8.71468 7.32874 5.90225 7.12541 6.40841 numMergedOcc 0
43 mol 58 unq 19 iso 0 dist 9.55426 7.21955 5.74871 6.75888 6.31428 8.71468 13.4544 6.47414 11.387 7.58407 numMergedOcc 0
44 mol 59 unq 0 iso 0 dist 8.84665 6.73347 4.36133 5.33688 12.8699 9.2902 7.71095 12.5396 9.64444 6.71911 numMergedOcc 0
45 mol 59 unq 1 iso 0 dist 8.25513 6.73347 6.66692 5.33688 11.6249 9.2902 7.71095 8.19458 9.64444 6.71911 numMergedOcc 0
46 mol 64 unq 0 iso 0 dist 9.67592 9.97159 6.21578 5.3948 8.68586 9.32552 14.5656 10.6748 11.4485 9.54144 numMergedOcc 0
47 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 7.41074 8.70133 7.10439 11.4799 7.4697 8.44406 5.64598 numMergedOcc 0
48 mol 73 unq 1 iso 0 dist 9.96396 9.24757 5.11416 7.41074 8.70133 7.10439 6.19304 5.4148 6.56633 4.65521 numMergedOcc 0
49 mol 73 unq 2 iso 0 dist 6.19304 9.24757 6.56633 7.41074 4.65521 7.10439 9.96396 5.4148 5.11416 8.70133 numMergedOcc 0
50 mol 73 unq 3 iso 0 dist 6.19304 9.24757 6.56633 7.41074 4.65521 7.10439 11.4799 5.7113 8.44406 5.64598 numMergedOcc 0
51 mol 73 unq 4 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 9.96396 14.9342 5.11416 8.70133 numMergedOcc 0
52 mol 73 unq 5 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 11.4799 19.0652 8.44406 5.64598 numMergedOcc 0
53 mol 73 unq 6 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 6.19304 13.3558 6.56633 4.65521 numMergedOcc 0
54 mol 92 unq 0 iso 0 dist 7.4729 6.95572 9.50382 6.99832 5.81965 5.39745 11.862 5.02055 11.3858 7.06013 numMergedOcc 0
55 mol 92 unq 1 iso 0 dist 7.4729 6.95572 9.50382 6.99832 5.81965 5.39745 6.82344 8.95922 7.56363 9.70512 numMergedOcc 0
56 mol 92 unq 2 iso 0 dist 6.82344 6.95572 7.56363 6.99832 9.70512 5.39745 7.4729 8.95922 9.50382 5.81965 numMergedOcc 0
57 mol 92 unq 3 iso 0 dist 6.82344 6.95572 7.56363 6.99832 9.70512 5.39745 11.862 12.4494 11.3858 7.06013 numMergedOcc 0
58 mol 126 unq 0 iso 0 dist 6.06638 6.30546 6.0268 7.01257 7.75534 7.36017 12.1593 7.12167 10.1326 9.06011 numMergedOcc 0
59 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 11.9139 6.86927 4.57832 8.79571 numMergedOcc 0
60 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 9.5126 7.11631 5.29786 5.42582 numMergedOcc 0
61 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 6.54501 5.79898 5.71679 8.6355 numMergedOcc 0
62 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 10.1448 8.6355 8.73604 11.9139 8.80819 4.57832 8.79571 numMergedOcc 0
63 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 10.1448 8.6355 8.73604 9.5126 5.00817 5.29786 5.42582 numMergedOcc 0
64 mol 134 unq 5 iso 0 dist 8.94367 6.23142 4.57832 5.41704 8.79571 8.73604 6.37586 5.49782 5.29786 5.42582 numMergedOcc 0
65 mol 134 unq 6 iso 0 dist 8.94367 6.23142 4.57832 5.41704 8.79571 8.73604 6.49416 8.80819 5.71679 8.6355 numMergedOcc 0
66 mol 134 unq 7 iso 0 dist 6.37586 6.23142 5.29786 5.41704 5.42582 8.73604 8.94367 5.49782 4.57832 8.79571 numMergedOcc 0
67 mol 134 unq 8 iso 0 dist 6.37586 6.23142 5.29786 5.41704 5.42582 8.73604 6.49416 5.00817 5.71679 8.6355 numMergedOcc 0
68 mol 134 unq 9 iso 0 dist 6.49416 6.23142 5.71679 5.41704 8.6355 8.73604 8.94367 8.80819 4.57832 8.79571 numMergedOcc 0
69 mol 134 unq 10 iso 0 dist 6.49416 6.23142 5.71679 5.41704 8.6355 8.73604 6.37586 5.00817 5.29786 5.42582 numMergedOcc 0
70 mol 134 unq 11 iso 0 dist 9.86662 9.94764 4.57832 6.17103 8.79571 8.73604 9.71307 5.49782 5.29786 5.42582 numMergedOcc 0
71 mol 134 unq 12 iso 0 dist 9.86662 9.94764 4.57832 6.17103 8.79571 8.73604 12.5075 8.80819 5.71679 8.6355 numMergedOcc 0
72 mol 134 unq 13 iso 0 dist 9.71307 9.94764 5.29786 6.17103 5.42582 8.73604 9.86662 5.49782 4.57832 8.79571 numMergedOcc 0
73 mol 134 unq 14 iso 0 dist 9.71307 9.94764 5.29786 6.17103 5.42582 8.73604 12.5075 5.00817 5.71679 8.6355 numMergedOcc 0
74 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 6.01455 9.27292 6.46089 10.6877 14.4073 10.0059 7.31468 numMergedOcc 0
75 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 6.01455 9.27292 6.46089 12.7524 14.5751 8.57817 7.7056 numMergedOcc 0
76 mol 155 unq 0 iso 0 dist 6.43582 7.92304 5.50031 6.34186 7.51198 9.80845 10.2463 5.71071 11.0769 9.86313 numMergedOcc 0
77 mol 156 unq 0 iso 0 dist 8.34702 7.30357 10.4977 5.07967 10.7757 7.30946 10.2717 12.5876 6.14767 6.88137 numMergedOcc 0
78 mol 156 unq 1 iso 0 dist 7.66148 7.90267 6.03934 8.67156 10.9818 5.81122 8.94056 10.1658 5.4555 6.27641 numMergedOcc 0
79 mol 156 unq 2 iso 0 dist 9.06726 7.30357 12.3086 5.07967 13.5803 7.30946 10.2717 16.573 6.14767 6.88137 numMergedOcc 0
80 mol 156 unq 3 iso 0 dist 8.33171 7.30357 7.79535 5.07967 11.7927 7.30946 10.2717 12.6998 6.14767 6.88137 numMergedOcc 0
81 mol 175 unq 0 iso 0 dist 6.57069 9.77896 8.29015 7.5414 9.8589 5.4997 10.2623 7.42466 4.63177 7.24908 numMergedOcc 0
82 mol 181 unq 0 iso 0 dist 9.1374 8.90963 8.91338 8.25067 13.2702 5.95304 9.15386 12.1628 9.34211 9.6668 numMergedOcc 0
83 mol 181 unq 1 iso 0 dist 8.03334 6.59025 8.04639 7.07409 10.7636 6.32777 10.7062 8.88798 5.77299 7.13543 numMergedOcc 0
84 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 6.25083 12.1309 9.06217 9.1374 13.2049 6.6251 6.94688 numMergedOcc 0
85 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 4.77278 12.2058 7.13252 9.1374 13.2049 6.6251 6.71012 numMergedOcc 0
86 mol 181 unq 4 iso 0 dist 5.98885 8.90963 9.81073 8.25067 10.8351 5.95304 9.15386 5.16002 9.34211 9.6668 numMergedOcc 0
87 mol 181 unq 5 iso 0 dist 9.09537 7.99195 10.09 5.86342 14.4632 9.06217 5.98885 10.1912 6.6251 6.94688 numMergedOcc 0
88 mol 181 unq 6 iso 0 dist 9.09537 7.99195 10.09 9.14057 15.4777 7.13252 5.98885 10.1912 6.6251 6.71012 numMergedOcc 0
89 mol 181 unq 7 iso 0 dist 7.63312 5.94469 12.5387 6.7991 10.1232 7.05653 7.81386 8.85576 7.77758 4.93785 numMergedOcc 0
90 mol 192 unq 0 iso 0 dist 7.00794 8.77999 11.7523 5.71262 12.1647 7.33225 5.59424 5.76246 8.49529 8.36822 numMergedOcc 0
91 mol 227 unq 0 iso 0 dist 9.34734 5.41321 10.7656 6.43754 12.4085 7.57454 7.22101 6.99063 10.9607 8.17891 numMergedOcc 0
92 mol 227 unq 1 iso 0 dist 9.34734 5.41321 10.7656 6.43754 12.4085 7.57454 8.65997 7.60506 9.72615 6.95902 numMergedOcc 0
93 mol 227 unq 2 iso 0 dist 7.22101 5.41321 10.9607 6.43754 8.17891 7.57454 8.65997 5.22356 9.72615 6.95902 numMergedOcc 0
94 mol 227 unq 3 iso 0 dist 8.65997 5.41321 9.72615 6.43754 6.95902 7.57454 7.22101 5.22356 10.9607 8.17891 numMergedOcc 0
95 mol 227 unq 4 iso 0 dist 7.56888 5.41321 5.10635 6.43754 11.004 7.57454 7.22101 10.8658 10.9607 8.17891 numMergedOcc 0
96 mol 227 unq 5 iso 0 dist 7.56888 5.41321 5.10635 6.43754 11.004 7.57454 8.65997 9.70012 9.72615 6.95902 numMergedOcc 0
97 mol 227 unq 6 iso 0 dist 7.55216 5.41321 6.48027 6.43754 12.8864 7.57454 7.22101 12.4689 10.9607 8.17891 numMergedOcc 0
98 mol 227 unq 7 iso 0 dist 7.55216 5.41321 6.48027 6.43754 12.8864 7.57454 8.65997 12.9332 9.72615 6.95902 numMergedOcc 0
99 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 5.9221 13.651 7.43663 10.3625 16.814 10.0059 9.5707 numMergedOcc 0
100 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 13.2297 18.6592 7.94068 11.0622 12.7009 5.08515 9.39181 numMergedOcc 0
101 mol 234 unq 2 iso 0 dist 8.92474 7.32499 4.4288 5.9221 10.521 7.43663 10.3625 14.1297 10.0059 9.5707 numMergedOcc 0
102 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 13.2297 11.4702 7.94068 11.0622 6.87903 5.08515 9.39181 numMergedOcc 0
103 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 11.0401 14.1514 8.90076 15.1497 18.3161 12.2874 8.14172 numMergedOcc 0
104 mol 238 unq 1 iso 0 dist 5.72887 9.24557 14.7883 11.0401 14.1514 8.90076 10.3007 13.0839 10.4017 6.77463 numMergedOcc 0
105 mol 238 unq 2 iso 0 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 16.4238 20.8397 10.7081 6.05141 numMergedOcc 0
106 mol 238 unq 3 iso 0 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 15.1497 18.3161 12.2874 8.09066 numMergedOcc 0
107 mol 238 unq 4 iso 0 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 10.3007 13.0839 10.4017 7.2766 numMergedOcc 0
108 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 11.6195 10.9591 8.71497 7.88519 4.69778 8.81835 7.48005 numMergedOcc 0
109 mol 259 unq 1 iso 0 dist 8.13497 7.98231 8.41846 11.6195 10.9591 8.71497 15.9169 13.2121 8.75685 8.37865 numMergedOcc 0
110 mol 259 unq 2 iso 0 dist 7.88519 7.98231 8.81835 11.6195 7.48005 8.71497 15.9169 12.5353 8.75685 8.37865 numMergedOcc 0
111 mol 259 unq 3 iso 0 dist 7.46176 7.08526 8.81835 5.79468 7.48005 8.71497 11.858 12.5353 8.75685 8.37865 numMergedOcc 0
