0 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
1 mol 19 unq 1 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
2 mol 19 unq 2 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
3 mol 19 unq 3 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
4 mol 19 unq 4 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
5 mol 19 unq 5 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
6 mol 19 unq 6 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
7 mol 19 unq 7 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
8 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
9 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
10 mol 58 unq 0 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
11 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
12 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
13 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
14 mol 133 unq 0 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
15 mol 133 unq 1 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
16 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
17 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
18 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
19 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
20 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
21 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
22 mol 155 unq 0 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
23 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
24 mol 156 unq 1 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
25 mol 156 unq 2 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
26 mol 156 unq 3 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
27 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
28 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
29 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
30 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
31 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
32 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
33 mol 181 unq 4 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
34 mol 181 unq 5 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
35 mol 181 unq 6 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
36 mol 181 unq 7 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
37 mol 181 unq 8 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
38 mol 181 unq 9 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
39 mol 227 unq 0 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
40 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
41 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
42 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
43 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
44 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
45 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
46 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
47 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
