0 mol 18 unq 0 iso 0 dist 8.52106 5.51376 6.32451 10.6757 8.80193 7.62011 11.9465 6.44368 10.5768 7.60512 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 6.32451 5.51376 8.52106 7.62011 8.80193 10.6757 10.5768 6.44368 11.9465 7.60512 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.80108 7.07775 8.58657 9.32205 8.19695 13.0631 11.877 4.01494 12.2354 6.41656 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.58657 7.07775 9.80108 13.0631 8.19695 9.32205 12.2354 4.01494 11.877 6.41656 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 9.80108 7.07775 8.58657 4.96411 7.02548 7.08342 11.877 4.01494 12.2354 8.54034 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 8.58657 7.07775 9.80108 7.08342 7.02548 4.96411 12.2354 4.01494 11.877 8.54034 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.63333 5.35073 8.89374 10.2049 9.11258 5.49591 15.888 13.2208 11.2189 7.58739 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 8.89374 5.35073 8.63333 5.49591 9.11258 10.2049 11.2189 13.2208 15.888 7.58739 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.63333 5.35073 8.89374 10.2049 9.11258 5.49591 13.3281 14.6599 8.96727 9.01564 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 8.89374 5.35073 8.63333 5.49591 9.11258 10.2049 8.96727 14.6599 13.3281 9.01564 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.63333 5.35073 8.89374 10.2049 9.11258 5.49591 11.5155 9.47022 8.01308 7.11065 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 8.89374 5.35073 8.63333 5.49591 9.11258 10.2049 8.01308 9.47022 11.5155 7.11065 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 8.63333 10.8153 6.46761 10.2049 9.11258 5.85698 15.888 13.2208 11.7132 7.58739 numMergedOcc 0
13 mol 58 unq 3 iso 1 dist 6.46761 10.8153 8.63333 5.85698 9.11258 10.2049 11.7132 13.2208 15.888 7.58739 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 8.63333 10.8153 6.46761 10.2049 9.11258 5.85698 13.3281 14.6599 14.4498 9.01564 numMergedOcc 0
15 mol 58 unq 4 iso 1 dist 6.46761 10.8153 8.63333 5.85698 9.11258 10.2049 14.4498 14.6599 13.3281 9.01564 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 8.63333 10.8153 6.46761 10.2049 9.11258 5.85698 11.5155 9.47022 10.6166 7.11065 numMergedOcc 0
17 mol 58 unq 5 iso 1 dist 6.46761 10.8153 8.63333 5.85698 9.11258 10.2049 10.6166 9.47022 11.5155 7.11065 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 8.63333 14.5953 9.73139 10.2049 9.11258 12.2123 15.888 13.2208 17.8156 7.58739 numMergedOcc 0
19 mol 58 unq 6 iso 1 dist 9.73139 14.5953 8.63333 12.2123 9.11258 10.2049 17.8156 13.2208 15.888 7.58739 numMergedOcc 0
20 mol 58 unq 7 iso 0 dist 8.63333 14.5953 9.73139 10.2049 9.11258 12.2123 13.3281 14.6599 20.9029 9.01564 numMergedOcc 0
21 mol 58 unq 7 iso 1 dist 9.73139 14.5953 8.63333 12.2123 9.11258 10.2049 20.9029 14.6599 13.3281 9.01564 numMergedOcc 0
22 mol 58 unq 8 iso 0 dist 8.63333 14.5953 9.73139 10.2049 9.11258 12.2123 11.5155 9.47022 16.7574 7.11065 numMergedOcc 0
23 mol 58 unq 8 iso 1 dist 9.73139 14.5953 8.63333 12.2123 9.11258 10.2049 16.7574 9.47022 11.5155 7.11065 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 8.89374 8.62958 6.46761 5.49591 9.11258 5.85698 11.2189 13.2208 11.7132 7.58739 numMergedOcc 0
25 mol 58 unq 3 iso 1 dist 6.46761 8.62958 8.89374 5.85698 9.11258 5.49591 11.7132 13.2208 11.2189 7.58739 numMergedOcc 0
26 mol 58 unq 4 iso 0 dist 8.89374 8.62958 6.46761 5.49591 9.11258 5.85698 8.96727 14.6599 14.4498 9.01564 numMergedOcc 0
27 mol 58 unq 4 iso 1 dist 6.46761 8.62958 8.89374 5.85698 9.11258 5.49591 14.4498 14.6599 8.96727 9.01564 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 8.89374 8.62958 6.46761 5.49591 9.11258 5.85698 8.01308 9.47022 10.6166 7.11065 numMergedOcc 0
29 mol 58 unq 5 iso 1 dist 6.46761 8.62958 8.89374 5.85698 9.11258 5.49591 10.6166 9.47022 8.01308 7.11065 numMergedOcc 0
30 mol 58 unq 6 iso 0 dist 8.89374 14.176 9.73139 5.49591 9.11258 12.2123 11.2189 13.2208 17.8156 7.58739 numMergedOcc 0
31 mol 58 unq 6 iso 1 dist 9.73139 14.176 8.89374 12.2123 9.11258 5.49591 17.8156 13.2208 11.2189 7.58739 numMergedOcc 0
32 mol 58 unq 7 iso 0 dist 8.89374 14.176 9.73139 5.49591 9.11258 12.2123 8.96727 14.6599 20.9029 9.01564 numMergedOcc 0
33 mol 58 unq 7 iso 1 dist 9.73139 14.176 8.89374 12.2123 9.11258 5.49591 20.9029 14.6599 8.96727 9.01564 numMergedOcc 0
34 mol 58 unq 8 iso 0 dist 8.89374 14.176 9.73139 5.49591 9.11258 12.2123 8.01308 9.47022 16.7574 7.11065 numMergedOcc 0
35 mol 58 unq 8 iso 1 dist 9.73139 14.176 8.89374 12.2123 9.11258 5.49591 16.7574 9.47022 8.01308 7.11065 numMergedOcc 0
36 mol 58 unq 6 iso 0 dist 6.46761 6.47414 9.73139 5.85698 9.11258 12.2123 11.7132 13.2208 17.8156 7.58739 numMergedOcc 0
37 mol 58 unq 6 iso 1 dist 9.73139 6.47414 6.46761 12.2123 9.11258 5.85698 17.8156 13.2208 11.7132 7.58739 numMergedOcc 0
38 mol 58 unq 7 iso 0 dist 6.46761 6.47414 9.73139 5.85698 9.11258 12.2123 14.4498 14.6599 20.9029 9.01564 numMergedOcc 0
39 mol 58 unq 7 iso 1 dist 9.73139 6.47414 6.46761 12.2123 9.11258 5.85698 20.9029 14.6599 14.4498 9.01564 numMergedOcc 0
40 mol 58 unq 8 iso 0 dist 6.46761 6.47414 9.73139 5.85698 9.11258 12.2123 10.6166 9.47022 16.7574 7.11065 numMergedOcc 0
41 mol 58 unq 8 iso 1 dist 9.73139 6.47414 6.46761 12.2123 9.11258 5.85698 16.7574 9.47022 10.6166 7.11065 numMergedOcc 0
42 mol 73 unq 0 iso 0 dist 8.70133 7.4697 5.64598 5.11416 7.10439 8.44406 12.2276 6.10063 11.6739 8.96616 numMergedOcc 0
43 mol 73 unq 0 iso 1 dist 5.64598 7.4697 8.70133 8.44406 7.10439 5.11416 11.6739 6.10063 12.2276 8.96616 numMergedOcc 0
44 mol 73 unq 1 iso 0 dist 8.70133 7.4697 5.64598 5.11416 7.10439 8.44406 9.73086 6.15714 10.9476 6.14542 numMergedOcc 0
45 mol 73 unq 1 iso 1 dist 5.64598 7.4697 8.70133 8.44406 7.10439 5.11416 10.9476 6.15714 9.73086 6.14542 numMergedOcc 0
46 mol 73 unq 2 iso 0 dist 8.70133 5.4148 4.65521 5.11416 7.10439 6.56633 12.2276 6.10063 8.68662 8.96616 numMergedOcc 0
47 mol 73 unq 2 iso 1 dist 4.65521 5.4148 8.70133 6.56633 7.10439 5.11416 8.68662 6.10063 12.2276 8.96616 numMergedOcc 0
48 mol 73 unq 3 iso 0 dist 8.70133 5.4148 4.65521 5.11416 7.10439 6.56633 9.73086 6.15714 7.4369 6.14542 numMergedOcc 0
49 mol 73 unq 3 iso 1 dist 4.65521 5.4148 8.70133 6.56633 7.10439 5.11416 7.4369 6.15714 9.73086 6.14542 numMergedOcc 0
50 mol 73 unq 2 iso 0 dist 5.64598 5.7113 4.65521 8.44406 7.10439 6.56633 11.6739 6.10063 8.68662 8.96616 numMergedOcc 0
51 mol 73 unq 2 iso 1 dist 4.65521 5.7113 5.64598 6.56633 7.10439 8.44406 8.68662 6.10063 11.6739 8.96616 numMergedOcc 0
52 mol 73 unq 3 iso 0 dist 5.64598 5.7113 4.65521 8.44406 7.10439 6.56633 10.9476 6.15714 7.4369 6.14542 numMergedOcc 0
53 mol 73 unq 3 iso 1 dist 4.65521 5.7113 5.64598 6.56633 7.10439 8.44406 7.4369 6.15714 10.9476 6.14542 numMergedOcc 0
54 mol 76 unq 0 iso 0 dist 6.21982 10.2879 8.19682 4.85247 7.03226 6.45686 6.72869 4.00608 9.85905 7.46095 numMergedOcc 0
55 mol 76 unq 0 iso 1 dist 8.19682 10.2879 6.21982 6.45686 7.03226 4.85247 9.85905 4.00608 6.72869 7.46095 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 8.79571 5.49782 5.42582 4.57832 8.73604 5.29786 7.21868 5.67107 7.93372 9.0176 numMergedOcc 0
57 mol 134 unq 0 iso 1 dist 5.42582 5.49782 8.79571 5.29786 8.73604 4.57832 7.93372 5.67107 7.21868 9.0176 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 8.79571 8.80819 8.6355 4.57832 8.73604 5.71679 7.21868 5.67107 11.988 9.0176 numMergedOcc 0
59 mol 134 unq 1 iso 1 dist 8.6355 8.80819 8.79571 5.71679 8.73604 4.57832 11.988 5.67107 7.21868 9.0176 numMergedOcc 0
60 mol 134 unq 1 iso 0 dist 5.42582 5.00817 8.6355 5.29786 8.73604 5.71679 7.93372 5.67107 11.988 9.0176 numMergedOcc 0
61 mol 134 unq 1 iso 1 dist 8.6355 5.00817 5.42582 5.71679 8.73604 5.29786 11.988 5.67107 7.93372 9.0176 numMergedOcc 0
62 mol 134 unq 2 iso 0 dist 8.94837 7.93571 7.77454 14.2198 6.93279 11.147 9.00918 5.58312 11.0651 7.83568 numMergedOcc 0
63 mol 134 unq 2 iso 1 dist 7.77454 7.93571 8.94837 11.147 6.93279 14.2198 11.0651 5.58312 9.00918 7.83568 numMergedOcc 0
64 mol 141 unq 0 iso 0 dist 6.93652 5.67306 9.54444 7.42649 5.26989 8.39549 8.07097 4.22522 11.7578 5.29898 numMergedOcc 0
65 mol 141 unq 0 iso 1 dist 9.54444 5.67306 6.93652 8.39549 5.26989 7.42649 11.7578 4.22522 8.07097 5.29898 numMergedOcc 0
66 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 10.0059 6.46089 8.57817 10.9972 4.38322 10.7327 5.06564 numMergedOcc 0
67 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 8.57817 6.46089 10.0059 10.7327 4.38322 10.9972 5.06564 numMergedOcc 0
68 mol 155 unq 0 iso 0 dist 7.16254 5.71071 9.14392 10.4923 9.0529 6.89781 12.9034 12.0485 8.97626 9.24038 numMergedOcc 0
69 mol 155 unq 0 iso 1 dist 9.14392 5.71071 7.16254 6.89781 9.0529 10.4923 8.97626 12.0485 12.9034 9.24038 numMergedOcc 0
70 mol 155 unq 1 iso 0 dist 9.86313 5.71071 7.51198 11.0769 9.80845 5.50031 12.9034 4.48516 8.97626 9.16358 numMergedOcc 0
71 mol 155 unq 1 iso 1 dist 7.51198 5.71071 9.86313 5.50031 9.80845 11.0769 8.97626 4.48516 12.9034 9.16358 numMergedOcc 0
72 mol 155 unq 2 iso 0 dist 9.86313 5.71071 7.51198 10.4923 7.55196 6.89781 12.9034 4.48516 8.97626 9.24038 numMergedOcc 0
73 mol 155 unq 2 iso 1 dist 7.51198 5.71071 9.86313 6.89781 7.55196 10.4923 8.97626 4.48516 12.9034 9.24038 numMergedOcc 0
74 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 10.9607 7.57454 9.72615 5.23634 4.09934 6.91318 8.91971 numMergedOcc 0
75 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 9.72615 7.57454 10.9607 6.91318 4.09934 5.23634 8.91971 numMergedOcc 0
76 mol 235 unq 0 iso 0 dist 9.58736 9.85037 9.43058 15.6327 7.31773 10.632 11.0129 4.47008 12.9086 8.97952 numMergedOcc 0
77 mol 235 unq 0 iso 1 dist 9.43058 9.85037 9.58736 10.632 7.31773 15.6327 12.9086 4.47008 11.0129 8.97952 numMergedOcc 0
78 mol 235 unq 1 iso 0 dist 9.58736 13.6669 8.75735 15.6327 7.31773 6.01041 11.0129 4.47008 11.8988 8.97952 numMergedOcc 0
79 mol 235 unq 1 iso 1 dist 8.75735 13.6669 9.58736 6.01041 7.31773 15.6327 11.8988 4.47008 11.0129 8.97952 numMergedOcc 0
80 mol 235 unq 2 iso 0 dist 9.58736 16.4493 6.98084 15.6327 7.31773 6.82855 11.0129 4.47008 8.19317 8.97952 numMergedOcc 0
81 mol 235 unq 2 iso 1 dist 6.98084 16.4493 9.58736 6.82855 7.31773 15.6327 8.19317 4.47008 11.0129 8.97952 numMergedOcc 0
82 mol 235 unq 3 iso 0 dist 9.58736 15.4 7.32211 15.6327 7.31773 6.46722 11.0129 4.47008 5.1823 8.97952 numMergedOcc 0
83 mol 235 unq 3 iso 1 dist 7.32211 15.4 9.58736 6.46722 7.31773 15.6327 5.1823 4.47008 11.0129 8.97952 numMergedOcc 0
84 mol 235 unq 1 iso 0 dist 9.43058 5.52217 8.75735 10.632 7.31773 6.01041 12.9086 4.47008 11.8988 8.97952 numMergedOcc 0
85 mol 235 unq 1 iso 1 dist 8.75735 5.52217 9.43058 6.01041 7.31773 10.632 11.8988 4.47008 12.9086 8.97952 numMergedOcc 0
86 mol 235 unq 2 iso 0 dist 9.43058 14.4362 6.98084 10.632 7.31773 6.82855 12.9086 4.47008 8.19317 8.97952 numMergedOcc 0
87 mol 235 unq 2 iso 1 dist 6.98084 14.4362 9.43058 6.82855 7.31773 10.632 8.19317 4.47008 12.9086 8.97952 numMergedOcc 0
88 mol 235 unq 3 iso 0 dist 9.43058 14.4107 7.32211 10.632 7.31773 6.46722 12.9086 4.47008 5.1823 8.97952 numMergedOcc 0
89 mol 235 unq 3 iso 1 dist 7.32211 14.4107 9.43058 6.46722 7.31773 10.632 5.1823 4.47008 12.9086 8.97952 numMergedOcc 0
90 mol 235 unq 2 iso 0 dist 8.75735 11.3519 6.98084 6.01041 7.31773 6.82855 11.8988 4.47008 8.19317 8.97952 numMergedOcc 0
91 mol 235 unq 2 iso 1 dist 6.98084 11.3519 8.75735 6.82855 7.31773 6.01041 8.19317 4.47008 11.8988 8.97952 numMergedOcc 0
92 mol 235 unq 3 iso 0 dist 8.75735 11.3789 7.32211 6.01041 7.31773 6.46722 11.8988 4.47008 5.1823 8.97952 numMergedOcc 0
93 mol 235 unq 3 iso 1 dist 7.32211 11.3789 8.75735 6.46722 7.31773 6.01041 5.1823 4.47008 11.8988 8.97952 numMergedOcc 0
94 mol 235 unq 3 iso 0 dist 6.98084 7.218 7.32211 6.82855 7.31773 6.46722 8.19317 4.47008 5.1823 8.97952 numMergedOcc 0
95 mol 235 unq 3 iso 1 dist 7.32211 7.218 6.98084 6.46722 7.31773 6.82855 5.1823 4.47008 8.19317 8.97952 numMergedOcc 0
96 mol 282 unq 0 iso 0 dist 6.85028 5.39891 7.32347 7.80785 6.8972 6.6348 12.3763 5.77779 12.2771 9.38222 numMergedOcc 0
97 mol 282 unq 0 iso 1 dist 7.32347 5.39891 6.85028 6.6348 6.8972 7.80785 12.2771 5.77779 12.3763 9.38222 numMergedOcc 0
98 mol 282 unq 1 iso 0 dist 6.85028 7.76539 8.3411 7.80785 6.8972 6.3458 12.3763 5.77779 10.6699 9.38222 numMergedOcc 0
99 mol 282 unq 1 iso 1 dist 8.3411 7.76539 6.85028 6.3458 6.8972 7.80785 10.6699 5.77779 12.3763 9.38222 numMergedOcc 0
100 mol 282 unq 1 iso 0 dist 7.32347 10.5372 8.3411 6.6348 6.8972 6.3458 12.2771 5.77779 10.6699 9.38222 numMergedOcc 0
101 mol 282 unq 1 iso 1 dist 8.3411 10.5372 7.32347 6.3458 6.8972 6.6348 10.6699 5.77779 12.2771 9.38222 numMergedOcc 0
