0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 7.12903 5.90976 5.51916 12.1303 7.48342 11.2317 10.0974 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 10.4366 6.93532 16.9082 11.7521 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 4.64838 6.41575 6.41423 5.82366 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 8.78293 10.9543 5.31524 4.97119 6.41575 10.741 13.1234 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 4.97119 6.41575 10.741 11.3136 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 4.97119 6.41575 10.741 5.82366 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 4.97119 6.41575 6.41423 13.1234 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 4.97119 6.41575 6.41423 11.3136 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 4.97119 6.41575 6.41423 5.82366 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 4.64838 6.41423 6.41575 5.82366 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 7.08342 8.40416 7.75618 7.02548 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 8.78293 11.4401 5.31524 4.97119 6.41423 10.741 13.1234 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 4.97119 6.41423 10.741 11.3136 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 4.97119 6.41423 10.741 5.82366 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 4.97119 6.41423 6.41575 13.1234 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 4.97119 6.41423 6.41575 11.3136 numMergedOcc 0
16 mol 19 unq 14 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 4.97119 6.41423 6.41575 5.82366 numMergedOcc 0
17 mol 19 unq 15 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.08342 7.75618 8.40416 7.02548 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 5.68392 6.85556 9.79094 9.71382 numMergedOcc 0
19 mol 54 unq 0 iso 0 dist 6.83299 9.5589 5.08001 5.02241 5.06052 6.91765 4.29856 6.14538 10.6808 6.30987 numMergedOcc 0
20 mol 54 unq 1 iso 0 dist 6.83299 8.10861 14.2075 5.02241 5.06052 10.1332 4.29856 6.14538 10.4158 6.30987 numMergedOcc 0
21 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 9.58673 5.92889 10.2241 5.78774 9.92355 5.93884 13.7654 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 9.58673 5.92889 7.05413 5.78774 9.92355 7.68678 13.7654 numMergedOcc 0
23 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 5.78774 5.93884 9.92355 13.7654 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 5.78774 5.93884 7.68678 13.7654 numMergedOcc 0
25 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 5.78774 7.68678 9.92355 13.7654 numMergedOcc 0
26 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 5.78774 7.68678 5.93884 13.7654 numMergedOcc 0
27 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.74871 7.21955 12.3035 14.2645 numMergedOcc 0
28 mol 58 unq 7 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.74871 7.21955 12.3035 8.71468 numMergedOcc 0
29 mol 59 unq 0 iso 0 dist 7.71095 6.85766 10.0246 6.71911 5.33688 7.29033 9.64444 6.73347 14.8852 9.2902 numMergedOcc 0
30 mol 61 unq 0 iso 0 dist 6.65721 6.72123 6.86346 8.76003 5.83489 7.39396 13.5488 9.25641 14.4663 14.7343 numMergedOcc 0
31 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.321 9.0131 6.11922 11.6378 9.27838 16.0048 13.1462 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.11416 9.24757 13.8696 7.10439 numMergedOcc 0
33 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.11416 9.24757 13.0145 7.10439 numMergedOcc 0
34 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 5.15851 10.0425 11.8774 11.4997 9.81166 14.6043 13.1026 numMergedOcc 0
35 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 5.15851 10.0425 10.0372 11.4997 9.81166 18.7078 13.1026 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 9.29301 9.82915 12.0078 10.0297 numMergedOcc 0
37 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 13.5116 9.82915 12.0078 10.0297 numMergedOcc 0
38 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 13.5116 9.82915 14.4382 10.0297 numMergedOcc 0
39 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 8.09967 7.54568 10.0796 11.8261 numMergedOcc 0
40 mol 85 unq 4 iso 0 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 4.65335 7.54568 10.0796 11.8261 numMergedOcc 0
41 mol 85 unq 5 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 4.65335 7.54568 9.39864 11.8261 numMergedOcc 0
42 mol 85 unq 6 iso 0 dist 5.73196 7.47541 6.87425 7.22293 6.47779 7.98917 4.65335 9.39864 10.0796 11.8261 numMergedOcc 0
43 mol 85 unq 7 iso 0 dist 5.73196 7.66905 10.1164 7.22293 6.47779 11.6116 4.65335 9.39864 7.54568 11.8261 numMergedOcc 0
44 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 6.58204 5.01145 10.9608 10.6848 7.10378 14.8081 11.9163 numMergedOcc 0
45 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 6.58204 5.01145 5.69137 10.6848 7.10378 15.2289 11.9163 numMergedOcc 0
46 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 12.2861 8.30845 10.6086 9.44658 numMergedOcc 0
47 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 15.5385 8.76378 13.2102 18.5425 numMergedOcc 0
48 mol 100 unq 4 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 12.2861 8.30845 18.1777 9.44658 numMergedOcc 0
49 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 15.5385 8.76378 14.0386 18.5425 numMergedOcc 0
50 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 11.2312 7.38135 15.4031 18.081 numMergedOcc 0
51 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 11.2312 7.38135 17.2419 18.081 numMergedOcc 0
52 mol 100 unq 8 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 11.2312 7.38135 19.8941 18.081 numMergedOcc 0
53 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 16.0138 9.22232 12.7901 12.3267 numMergedOcc 0
54 mol 133 unq 1 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 5.92062 9.22661 13.5028 6.51868 numMergedOcc 0
55 mol 133 unq 2 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 6.61891 7.56378 11.8433 7.34698 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.71679 7.69991 6.23142 8.73604 numMergedOcc 0
57 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 4.57832 6.23142 9.94764 8.73604 numMergedOcc 0
58 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.29786 6.23142 9.94764 8.73604 numMergedOcc 0
59 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.71679 6.23142 7.69991 8.73604 numMergedOcc 0
60 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 4.57832 9.94764 6.23142 8.73604 numMergedOcc 0
61 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.29786 9.94764 6.23142 8.73604 numMergedOcc 0
62 mol 155 unq 0 iso 0 dist 6.43582 7.46303 7.66392 9.14392 12.1814 6.3845 5.50031 7.92304 12.2416 13.3276 numMergedOcc 0
63 mol 155 unq 1 iso 0 dist 6.43582 7.46303 7.66392 7.51198 6.34186 5.86939 5.50031 7.92304 12.2416 9.80845 numMergedOcc 0
64 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 6.27641 7.29758 8.67156 5.4555 9.44367 7.90267 5.81122 numMergedOcc 0
65 mol 156 unq 1 iso 0 dist 7.44554 8.94056 5.56175 6.27641 7.29758 8.67156 11.9952 9.47433 14.7758 13.7525 numMergedOcc 0
66 mol 156 unq 2 iso 0 dist 7.44554 9.83699 8.38403 6.27641 7.29758 4.53931 5.4555 9.44367 10.3379 5.81122 numMergedOcc 0
67 mol 156 unq 3 iso 0 dist 7.44554 9.83699 8.38403 6.27641 7.29758 4.53931 11.9952 9.47433 13.0431 13.7525 numMergedOcc 0
68 mol 156 unq 4 iso 0 dist 8.94056 7.44554 5.56175 6.27641 8.67156 7.29758 5.4555 7.90267 9.44367 5.81122 numMergedOcc 0
69 mol 156 unq 5 iso 0 dist 8.94056 9.83699 11.2719 6.27641 8.67156 4.53931 5.4555 7.90267 10.3379 5.81122 numMergedOcc 0
70 mol 175 unq 0 iso 0 dist 6.57069 9.0018 8.16421 9.8589 7.5414 8.22779 8.29015 9.77896 10.4182 5.4997 numMergedOcc 0
71 mol 175 unq 1 iso 0 dist 6.57069 5.6234 5.35493 9.8589 7.5414 10.5631 8.29015 9.77896 11.6765 5.4997 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 6.6251 6.2479 7.99195 9.06217 numMergedOcc 0
73 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 6.6251 6.2479 7.99195 7.13252 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 6.6251 6.2479 12.8533 9.06217 numMergedOcc 0
75 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 6.6251 6.2479 12.8533 7.13252 numMergedOcc 0
76 mol 181 unq 4 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 5.6044 9.72611 14.2254 10.3766 numMergedOcc 0
77 mol 181 unq 5 iso 0 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 6.6251 7.99195 6.2479 9.06217 numMergedOcc 0
78 mol 181 unq 6 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 5.6044 9.72611 14.2254 10.7723 numMergedOcc 0
79 mol 181 unq 7 iso 0 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 6.6251 7.99195 6.2479 7.13252 numMergedOcc 0
80 mol 181 unq 8 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 5.6044 9.72611 10.428 10.3766 numMergedOcc 0
81 mol 181 unq 9 iso 0 dist 5.98885 9.15386 5.16002 6.94688 5.86342 6.80228 6.6251 7.99195 12.8533 9.06217 numMergedOcc 0
82 mol 181 unq 10 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 5.6044 9.72611 10.428 10.7723 numMergedOcc 0
83 mol 181 unq 11 iso 0 dist 5.98885 9.15386 5.16002 6.71012 9.14057 11.6919 6.6251 7.99195 12.8533 7.13252 numMergedOcc 0
84 mol 181 unq 12 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 9.81073 8.90963 18.0578 13.6646 numMergedOcc 0
85 mol 181 unq 13 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 9.81073 8.90963 18.0578 15.9219 numMergedOcc 0
86 mol 181 unq 14 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 7.20191 9.39829 6.41453 13.5221 numMergedOcc 0
87 mol 181 unq 15 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 7.20191 9.39829 6.41453 14.5372 numMergedOcc 0
88 mol 181 unq 16 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 5.63555 5.9176 10.4943 5.97685 numMergedOcc 0
89 mol 181 unq 17 iso 0 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 7.20191 6.41453 9.39829 13.5221 numMergedOcc 0
90 mol 181 unq 18 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 5.63555 5.9176 10.4943 8.9289 numMergedOcc 0
91 mol 181 unq 19 iso 0 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 7.20191 6.41453 9.39829 14.5372 numMergedOcc 0
92 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 5.90931 12.9483 5.09262 5.86489 7.32294 11.5776 11.641 numMergedOcc 0
93 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 9.19704 6.23291 8.66809 10.3603 5.44002 12.3113 10.5073 numMergedOcc 0
94 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 9.19704 6.23291 13.231 10.3603 5.44002 17.9798 10.5073 numMergedOcc 0
95 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 6.84247 6.7067 6.05129 7.11498 6.59716 13.1498 9.7334 numMergedOcc 0
96 mol 220 unq 1 iso 0 dist 9.23153 8.24498 10.5449 6.99002 15.9568 11.1321 7.11498 6.59716 13.1498 13.5801 numMergedOcc 0
97 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 6.35849 7.43071 6.02296 12.2922 numMergedOcc 0
98 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.9607 5.41321 9.74265 7.57454 numMergedOcc 0
99 mol 227 unq 2 iso 0 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 6.35849 6.02296 7.43071 12.2922 numMergedOcc 0
100 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 8.81835 7.98231 11.6972 8.71497 numMergedOcc 0
101 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 8.81835 7.98231 7.08526 8.71497 numMergedOcc 0
102 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 8.81835 7.98231 15.8414 8.71497 numMergedOcc 0
103 mol 259 unq 3 iso 0 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 8.81835 7.08526 7.98231 8.71497 numMergedOcc 0
104 mol 259 unq 4 iso 0 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 8.81835 7.08526 11.6972 8.71497 numMergedOcc 0
105 mol 259 unq 5 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 8.81835 7.08526 15.8414 8.71497 numMergedOcc 0
106 mol 264 unq 0 iso 0 dist 6.24356 9.361 10.3202 9.0012 5.12409 9.74238 7.52936 5.93616 13.2142 5.91213 numMergedOcc 0
107 mol 264 unq 1 iso 0 dist 6.24356 9.361 10.3202 9.5784 9.67998 9.85579 7.52936 5.93616 13.2142 7.34094 numMergedOcc 0
