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 18.3807 15.4949 13.8829 9.36807 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.60499 6.02702 8.43473 15.9584 13.2603 9.97624 18.3807 15.4949 13.8829 9.36807 10.6581 9.0379 5.03847 6.36911 13.2247 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 8.40416 9.74255 6.74265 9.58539 7.02548 10.4091 7.34551 4.96411 9.80108 4.51865 5.80928 7.08342 8.58657 7.07775 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.4674 8.40416 9.74255 6.74265 9.58539 7.02548 4.51865 5.80928 7.08342 8.58657 10.4091 7.34551 4.96411 9.80108 7.07775 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.4674 6.41575 4.64838 5.14627 6.20943 5.82366 9.78944 7.83352 6.42867 6.00439 4.54938 7.67038 4.97119 7.82528 10.8007 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 8.4674 6.41575 4.64838 5.14627 6.20943 5.82366 4.54938 7.67038 4.97119 7.82528 9.78944 7.83352 6.42867 6.00439 10.8007 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 4.54938 7.75618 9.74255 5.5841 9.58539 7.02548 7.20519 7.34551 4.96411 9.80108 6.864 5.80928 7.08342 8.58657 7.07775 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 4.54938 7.75618 9.74255 5.5841 9.58539 7.02548 6.864 5.80928 7.08342 8.58657 7.20519 7.34551 4.96411 9.80108 7.07775 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 4.54938 6.41575 4.97119 5.14627 7.82528 5.82366 9.78944 10.8007 6.42867 6.00439 8.4674 7.67038 4.64838 6.20943 7.83352 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 4.54938 6.41575 4.97119 5.14627 7.82528 5.82366 8.4674 7.67038 4.64838 6.20943 9.78944 10.8007 6.42867 6.00439 7.83352 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 9.78944 10.6598 6.42867 6.00439 8.4674 10.3915 4.64838 6.20943 7.83352 numMergedOcc 0
11 mol 19 unq 4 iso 1 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 8.4674 10.3915 4.64838 6.20943 9.78944 10.6598 6.42867 6.00439 7.83352 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 9.78944 10.6598 6.42867 6.00439 4.54938 5.03957 4.97119 7.82528 10.8007 numMergedOcc 0
13 mol 19 unq 5 iso 1 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 4.54938 5.03957 4.97119 7.82528 9.78944 10.6598 6.42867 6.00439 10.8007 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 8.4674 10.3915 4.64838 6.20943 4.54938 5.03957 4.97119 7.82528 7.67038 numMergedOcc 0
15 mol 19 unq 5 iso 1 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 4.54938 5.03957 4.97119 7.82528 8.4674 10.3915 4.64838 6.20943 7.67038 numMergedOcc 0
16 mol 19 unq 6 iso 0 dist 4.51865 6.41423 4.64838 4.69858 6.20943 5.82366 9.56313 7.83352 6.42867 6.00439 6.864 7.67038 4.97119 7.82528 10.8007 numMergedOcc 0
17 mol 19 unq 6 iso 1 dist 4.51865 6.41423 4.64838 4.69858 6.20943 5.82366 6.864 7.67038 4.97119 7.82528 9.56313 7.83352 6.42867 6.00439 10.8007 numMergedOcc 0
18 mol 19 unq 7 iso 0 dist 6.864 6.41423 4.97119 4.69858 7.82528 5.82366 9.56313 10.8007 6.42867 6.00439 4.51865 7.67038 4.64838 6.20943 7.83352 numMergedOcc 0
19 mol 19 unq 7 iso 1 dist 6.864 6.41423 4.97119 4.69858 7.82528 5.82366 4.51865 7.67038 4.64838 6.20943 9.56313 10.8007 6.42867 6.00439 7.83352 numMergedOcc 0
20 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 13.4544 15.6564 11.387 7.58407 11.0466 numMergedOcc 0
21 mol 58 unq 0 iso 1 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 13.4544 15.6564 11.387 7.58407 7.32874 5.47421 7.12541 6.40841 11.0466 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 7.32874 5.47421 7.12541 6.40841 9.55426 9.7274 5.74871 6.31428 5.90225 numMergedOcc 0
23 mol 58 unq 1 iso 1 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 9.55426 9.7274 5.74871 6.31428 7.32874 5.47421 7.12541 6.40841 5.90225 numMergedOcc 0
24 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 9.55426 9.7274 5.74871 6.31428 6.47414 numMergedOcc 0
25 mol 58 unq 1 iso 1 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 9.55426 9.7274 5.74871 6.31428 13.4544 15.6564 11.387 7.58407 6.47414 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 7.32874 7.21955 7.12541 6.75888 6.40841 8.71468 13.4544 11.0466 11.387 7.58407 9.55426 5.90225 5.74871 6.31428 6.47414 numMergedOcc 0
27 mol 58 unq 2 iso 1 dist 7.32874 7.21955 7.12541 6.75888 6.40841 8.71468 9.55426 5.90225 5.74871 6.31428 13.4544 11.0466 11.387 7.58407 6.47414 numMergedOcc 0
28 mol 58 unq 3 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 6.35756 5.35073 5.49591 8.89374 10.3224 10.8153 5.85698 6.46761 8.62958 numMergedOcc 0
29 mol 58 unq 3 iso 1 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 10.3224 10.8153 5.85698 6.46761 6.35756 5.35073 5.49591 8.89374 8.62958 numMergedOcc 0
30 mol 58 unq 4 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 6.35756 5.35073 5.49591 8.89374 15.4557 14.5953 12.2123 9.73139 14.176 numMergedOcc 0
31 mol 58 unq 4 iso 1 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 15.4557 14.5953 12.2123 9.73139 6.35756 5.35073 5.49591 8.89374 14.176 numMergedOcc 0
32 mol 58 unq 4 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 10.3224 10.8153 5.85698 6.46761 15.4557 14.5953 12.2123 9.73139 6.47414 numMergedOcc 0
33 mol 58 unq 4 iso 1 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 15.4557 14.5953 12.2123 9.73139 10.3224 10.8153 5.85698 6.46761 6.47414 numMergedOcc 0
34 mol 58 unq 5 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.86465 5.30792 10.2049 8.63333 6.35756 4.81926 5.49591 8.89374 5.35073 numMergedOcc 0
35 mol 58 unq 5 iso 1 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.35756 4.81926 5.49591 8.89374 6.86465 5.30792 10.2049 8.63333 5.35073 numMergedOcc 0
36 mol 58 unq 6 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.86465 5.30792 10.2049 8.63333 10.3224 13.1243 5.85698 6.46761 10.8153 numMergedOcc 0
37 mol 58 unq 6 iso 1 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 10.3224 13.1243 5.85698 6.46761 6.86465 5.30792 10.2049 8.63333 10.8153 numMergedOcc 0
38 mol 58 unq 7 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.86465 5.30792 10.2049 8.63333 15.4557 18.3276 12.2123 9.73139 14.5953 numMergedOcc 0
39 mol 58 unq 7 iso 1 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 15.4557 18.3276 12.2123 9.73139 6.86465 5.30792 10.2049 8.63333 14.5953 numMergedOcc 0
40 mol 58 unq 6 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.35756 4.81926 5.49591 8.89374 10.3224 13.1243 5.85698 6.46761 8.62958 numMergedOcc 0
41 mol 58 unq 6 iso 1 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 10.3224 13.1243 5.85698 6.46761 6.35756 4.81926 5.49591 8.89374 8.62958 numMergedOcc 0
42 mol 58 unq 7 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 6.35756 4.81926 5.49591 8.89374 15.4557 18.3276 12.2123 9.73139 14.176 numMergedOcc 0
43 mol 58 unq 7 iso 1 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 15.4557 18.3276 12.2123 9.73139 6.35756 4.81926 5.49591 8.89374 14.176 numMergedOcc 0
44 mol 58 unq 7 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 10.3224 13.1243 5.85698 6.46761 15.4557 18.3276 12.2123 9.73139 6.47414 numMergedOcc 0
45 mol 58 unq 7 iso 1 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 15.4557 18.3276 12.2123 9.73139 10.3224 13.1243 5.85698 6.46761 6.47414 numMergedOcc 0
46 mol 58 unq 8 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 6.86465 5.35073 10.2049 8.63333 10.3224 8.62958 5.85698 6.46761 10.8153 numMergedOcc 0
47 mol 58 unq 8 iso 1 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 10.3224 8.62958 5.85698 6.46761 6.86465 5.35073 10.2049 8.63333 10.8153 numMergedOcc 0
48 mol 58 unq 9 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 6.86465 5.35073 10.2049 8.63333 15.4557 14.176 12.2123 9.73139 14.5953 numMergedOcc 0
49 mol 58 unq 9 iso 1 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 15.4557 14.176 12.2123 9.73139 6.86465 5.35073 10.2049 8.63333 14.5953 numMergedOcc 0
50 mol 58 unq 9 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 10.3224 8.62958 5.85698 6.46761 15.4557 14.176 12.2123 9.73139 6.47414 numMergedOcc 0
51 mol 58 unq 9 iso 1 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 15.4557 14.176 12.2123 9.73139 10.3224 8.62958 5.85698 6.46761 6.47414 numMergedOcc 0
52 mol 58 unq 10 iso 0 dist 9.55426 7.21955 5.74871 6.75888 6.31428 8.71468 7.32874 5.90225 7.12541 6.40841 13.4544 6.47414 11.387 7.58407 11.0466 numMergedOcc 0
53 mol 58 unq 10 iso 1 dist 9.55426 7.21955 5.74871 6.75888 6.31428 8.71468 13.4544 6.47414 11.387 7.58407 7.32874 5.90225 7.12541 6.40841 11.0466 numMergedOcc 0
54 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 6.19304 5.4148 6.56633 4.65521 5.7113 numMergedOcc 0
55 mol 73 unq 0 iso 1 dist 9.96396 9.24757 5.11416 7.41074 8.70133 7.10439 6.19304 5.4148 6.56633 4.65521 11.4799 7.4697 8.44406 5.64598 5.7113 numMergedOcc 0
56 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 7.41074 4.65521 7.10439 9.96396 5.4148 5.11416 8.70133 11.4799 5.7113 8.44406 5.64598 7.4697 numMergedOcc 0
57 mol 73 unq 1 iso 1 dist 6.19304 9.24757 6.56633 7.41074 4.65521 7.10439 11.4799 5.7113 8.44406 5.64598 9.96396 5.4148 5.11416 8.70133 7.4697 numMergedOcc 0
58 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 9.96396 14.9342 5.11416 8.70133 11.4799 19.0652 8.44406 5.64598 7.4697 numMergedOcc 0
59 mol 73 unq 2 iso 1 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 11.4799 19.0652 8.44406 5.64598 9.96396 14.9342 5.11416 8.70133 7.4697 numMergedOcc 0
60 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 9.96396 14.9342 5.11416 8.70133 6.19304 13.3558 6.56633 4.65521 5.4148 numMergedOcc 0
61 mol 73 unq 3 iso 1 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 6.19304 13.3558 6.56633 4.65521 9.96396 14.9342 5.11416 8.70133 5.4148 numMergedOcc 0
62 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 11.4799 19.0652 8.44406 5.64598 6.19304 13.3558 6.56633 4.65521 5.7113 numMergedOcc 0
63 mol 73 unq 3 iso 1 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 6.19304 13.3558 6.56633 4.65521 11.4799 19.0652 8.44406 5.64598 5.7113 numMergedOcc 0
64 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 6.82344 8.95922 7.56363 9.70512 12.4494 numMergedOcc 0
65 mol 92 unq 0 iso 1 dist 7.4729 6.95572 9.50382 6.99832 5.81965 5.39745 6.82344 8.95922 7.56363 9.70512 11.862 5.02055 11.3858 7.06013 12.4494 numMergedOcc 0
66 mol 92 unq 1 iso 0 dist 6.82344 6.95572 7.56363 6.99832 9.70512 5.39745 7.4729 8.95922 9.50382 5.81965 11.862 12.4494 11.3858 7.06013 5.02055 numMergedOcc 0
67 mol 92 unq 1 iso 1 dist 6.82344 6.95572 7.56363 6.99832 9.70512 5.39745 11.862 12.4494 11.3858 7.06013 7.4729 8.95922 9.50382 5.81965 5.02055 numMergedOcc 0
68 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 9.5126 7.11631 5.29786 5.42582 5.49782 numMergedOcc 0
69 mol 134 unq 0 iso 1 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 9.5126 7.11631 5.29786 5.42582 11.9139 6.86927 4.57832 8.79571 5.49782 numMergedOcc 0
70 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 11.9139 6.86927 4.57832 8.79571 6.54501 5.79898 5.71679 8.6355 8.80819 numMergedOcc 0
71 mol 134 unq 1 iso 1 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 6.54501 5.79898 5.71679 8.6355 11.9139 6.86927 4.57832 8.79571 8.80819 numMergedOcc 0
72 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 6.54501 5.79898 5.71679 8.6355 5.00817 numMergedOcc 0
73 mol 134 unq 1 iso 1 dist 9.89303 7.69991 4.60632 10.1448 12.0514 8.73604 6.54501 5.79898 5.71679 8.6355 9.5126 7.11631 5.29786 5.42582 5.00817 numMergedOcc 0
74 mol 134 unq 2 iso 0 dist 6.54501 7.69991 5.71679 10.1448 8.6355 8.73604 11.9139 8.80819 4.57832 8.79571 9.5126 5.00817 5.29786 5.42582 5.49782 numMergedOcc 0
75 mol 134 unq 2 iso 1 dist 6.54501 7.69991 5.71679 10.1448 8.6355 8.73604 9.5126 5.00817 5.29786 5.42582 11.9139 8.80819 4.57832 8.79571 5.49782 numMergedOcc 0
76 mol 134 unq 3 iso 0 dist 8.94367 6.23142 4.57832 5.41704 8.79571 8.73604 6.37586 5.49782 5.29786 5.42582 6.49416 8.80819 5.71679 8.6355 5.00817 numMergedOcc 0
77 mol 134 unq 3 iso 1 dist 8.94367 6.23142 4.57832 5.41704 8.79571 8.73604 6.49416 8.80819 5.71679 8.6355 6.37586 5.49782 5.29786 5.42582 5.00817 numMergedOcc 0
78 mol 134 unq 4 iso 0 dist 6.37586 6.23142 5.29786 5.41704 5.42582 8.73604 8.94367 5.49782 4.57832 8.79571 6.49416 5.00817 5.71679 8.6355 8.80819 numMergedOcc 0
79 mol 134 unq 4 iso 1 dist 6.37586 6.23142 5.29786 5.41704 5.42582 8.73604 6.49416 5.00817 5.71679 8.6355 8.94367 5.49782 4.57832 8.79571 8.80819 numMergedOcc 0
80 mol 134 unq 5 iso 0 dist 6.49416 6.23142 5.71679 5.41704 8.6355 8.73604 8.94367 8.80819 4.57832 8.79571 6.37586 5.00817 5.29786 5.42582 5.49782 numMergedOcc 0
81 mol 134 unq 5 iso 1 dist 6.49416 6.23142 5.71679 5.41704 8.6355 8.73604 6.37586 5.00817 5.29786 5.42582 8.94367 8.80819 4.57832 8.79571 5.49782 numMergedOcc 0
82 mol 134 unq 6 iso 0 dist 9.86662 9.94764 4.57832 6.17103 8.79571 8.73604 9.71307 5.49782 5.29786 5.42582 12.5075 8.80819 5.71679 8.6355 5.00817 numMergedOcc 0
83 mol 134 unq 6 iso 1 dist 9.86662 9.94764 4.57832 6.17103 8.79571 8.73604 12.5075 8.80819 5.71679 8.6355 9.71307 5.49782 5.29786 5.42582 5.00817 numMergedOcc 0
84 mol 134 unq 7 iso 0 dist 9.71307 9.94764 5.29786 6.17103 5.42582 8.73604 9.86662 5.49782 4.57832 8.79571 12.5075 5.00817 5.71679 8.6355 8.80819 numMergedOcc 0
85 mol 134 unq 7 iso 1 dist 9.71307 9.94764 5.29786 6.17103 5.42582 8.73604 12.5075 5.00817 5.71679 8.6355 9.86662 5.49782 4.57832 8.79571 8.80819 numMergedOcc 0
86 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 12.7524 14.5751 8.57817 7.7056 5.72828 numMergedOcc 0
87 mol 143 unq 0 iso 1 dist 5.99315 7.78652 6.48978 6.01455 9.27292 6.46089 12.7524 14.5751 8.57817 7.7056 10.6877 14.4073 10.0059 7.31468 5.72828 numMergedOcc 0
88 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 8.65997 7.60506 9.72615 6.95902 5.22356 numMergedOcc 0
89 mol 227 unq 0 iso 1 dist 9.34734 5.41321 10.7656 6.43754 12.4085 7.57454 8.65997 7.60506 9.72615 6.95902 7.22101 6.99063 10.9607 8.17891 5.22356 numMergedOcc 0
90 mol 227 unq 1 iso 0 dist 7.56888 5.41321 5.10635 6.43754 11.004 7.57454 7.22101 10.8658 10.9607 8.17891 8.65997 9.70012 9.72615 6.95902 5.22356 numMergedOcc 0
91 mol 227 unq 1 iso 1 dist 7.56888 5.41321 5.10635 6.43754 11.004 7.57454 8.65997 9.70012 9.72615 6.95902 7.22101 10.8658 10.9607 8.17891 5.22356 numMergedOcc 0
92 mol 227 unq 2 iso 0 dist 7.55216 5.41321 6.48027 6.43754 12.8864 7.57454 7.22101 12.4689 10.9607 8.17891 8.65997 12.9332 9.72615 6.95902 5.22356 numMergedOcc 0
93 mol 227 unq 2 iso 1 dist 7.55216 5.41321 6.48027 6.43754 12.8864 7.57454 8.65997 12.9332 9.72615 6.95902 7.22101 12.4689 10.9607 8.17891 5.22356 numMergedOcc 0
94 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 10.3007 13.0839 10.4017 6.77463 5.31152 numMergedOcc 0
95 mol 238 unq 0 iso 1 dist 5.72887 9.24557 14.7883 11.0401 14.1514 8.90076 10.3007 13.0839 10.4017 6.77463 15.1497 18.3161 12.2874 8.14172 5.31152 numMergedOcc 0
96 mol 238 unq 1 iso 0 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 16.4238 20.8397 10.7081 6.05141 15.1497 18.3161 12.2874 8.09066 5.6348 numMergedOcc 0
97 mol 238 unq 1 iso 1 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 15.1497 18.3161 12.2874 8.09066 16.4238 20.8397 10.7081 6.05141 5.6348 numMergedOcc 0
98 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 10.3007 13.0839 10.4017 7.2766 8.87326 numMergedOcc 0
99 mol 238 unq 2 iso 1 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 10.3007 13.0839 10.4017 7.2766 16.4238 20.8397 10.7081 6.05141 8.87326 numMergedOcc 0
100 mol 238 unq 2 iso 0 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 15.1497 18.3161 12.2874 8.09066 10.3007 13.0839 10.4017 7.2766 5.31152 numMergedOcc 0
101 mol 238 unq 2 iso 1 dist 5.72887 9.24557 14.7883 11.9142 16.5748 8.09718 10.3007 13.0839 10.4017 7.2766 15.1497 18.3161 12.2874 8.09066 5.31152 numMergedOcc 0
102 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 15.9169 13.2121 8.75685 8.37865 12.5353 numMergedOcc 0
103 mol 259 unq 0 iso 1 dist 8.13497 7.98231 8.41846 11.6195 10.9591 8.71497 15.9169 13.2121 8.75685 8.37865 7.88519 4.69778 8.81835 7.48005 12.5353 numMergedOcc 0
