0 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 9.36807 10.515 6.57017 13.8829 8.72114 13.6379 9.97624 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 13.8829 8.72114 9.97624 13.6379 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 8.23643 6.55187 12.7954 4.97119 6.41575 13.1234 11.3136 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 8.23643 6.55187 8.78293 10.9543 12.7954 4.97119 6.41575 11.3136 13.1234 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 8.78293 10.9543 7.82528 5.14627 14.7664 4.97119 6.41575 13.1234 5.82366 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 4.97119 6.41575 5.82366 13.1234 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 8.23643 6.55187 7.82528 5.14627 11.0033 4.97119 6.41575 11.3136 5.82366 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 4.97119 6.41575 5.82366 11.3136 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.864 8.78293 11.4401 8.23643 12.3093 12.7954 4.97119 6.41423 13.1234 11.3136 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 6.864 8.23643 12.3093 8.78293 11.4401 12.7954 4.97119 6.41423 11.3136 13.1234 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 6.864 8.78293 11.4401 7.82528 4.69858 14.7664 4.97119 6.41423 13.1234 5.82366 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 4.97119 6.41423 5.82366 13.1234 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 6.864 8.23643 12.3093 7.82528 4.69858 11.0033 4.97119 6.41423 11.3136 5.82366 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 4.97119 6.41423 5.82366 11.3136 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 5.74871 7.21955 14.2645 8.71468 numMergedOcc 0
15 mol 58 unq 0 iso 1 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 5.74871 7.21955 8.71468 14.2645 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.87172 9.38288 11.7228 6.19042 6.35763 6.59581 10.9441 9.11344 17.5912 11.1099 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 9.87172 6.19042 6.35763 9.38288 11.7228 6.59581 10.9441 9.11344 11.1099 17.5912 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 9.87172 9.38288 11.7228 7.44174 7.36192 11.6138 10.9441 9.11344 17.5912 11.8717 numMergedOcc 0
19 mol 119 unq 1 iso 1 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 10.9441 9.11344 11.8717 17.5912 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 7.44174 7.36192 8.58342 10.9441 9.11344 11.1099 11.8717 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 10.9441 9.11344 11.8717 11.1099 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 6.18601 9.80862 9.35964 8.43904 10.3457 4.84196 10.4376 8.00003 16.6554 16.109 numMergedOcc 0
23 mol 119 unq 2 iso 1 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 10.4376 8.00003 16.109 16.6554 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 9.51418 6.6499 10.2027 13.7237 9.90168 11.4282 16.3398 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 6.85062 9.51418 6.6499 6.91348 6.19596 10.2027 13.7237 9.90168 16.3398 11.4282 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 7.51198 6.34186 7.63368 5.50031 7.92304 13.3276 9.80845 numMergedOcc 0
27 mol 155 unq 0 iso 1 dist 6.43582 7.51198 6.34186 9.14392 12.1814 7.63368 5.50031 7.92304 9.80845 13.3276 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.71012 4.77278 5.3528 6.6251 6.2479 9.06217 7.13252 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 9.1374 6.71012 4.77278 6.94688 6.25083 5.3528 6.6251 6.2479 7.13252 9.06217 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 5.98885 6.94688 5.86342 6.71012 9.14057 5.3528 5.6044 9.72611 10.3766 10.7723 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 5.98885 6.71012 9.14057 6.94688 5.86342 5.3528 5.6044 9.72611 10.7723 10.3766 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 6.71012 9.14057 5.3528 6.6251 7.99195 9.06217 7.13252 numMergedOcc 0
33 mol 181 unq 2 iso 1 dist 5.98885 6.71012 9.14057 6.94688 5.86342 5.3528 6.6251 7.99195 7.13252 9.06217 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 9.81073 8.90963 13.6646 15.9219 numMergedOcc 0
35 mol 181 unq 3 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 9.81073 8.90963 15.9219 13.6646 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 7.20191 9.39829 13.5221 14.5372 numMergedOcc 0
37 mol 181 unq 4 iso 1 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 7.20191 9.39829 14.5372 13.5221 numMergedOcc 0
38 mol 181 unq 5 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 5.63555 5.9176 5.97685 8.9289 numMergedOcc 0
39 mol 181 unq 5 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 5.63555 5.9176 8.9289 5.97685 numMergedOcc 0
40 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 7.20191 6.41453 13.5221 14.5372 numMergedOcc 0
41 mol 181 unq 6 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 7.20191 6.41453 14.5372 13.5221 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 9.23153 6.84247 6.7067 6.99002 15.9568 11.5311 7.11498 6.59716 9.7334 13.5801 numMergedOcc 0
43 mol 220 unq 0 iso 1 dist 9.23153 6.99002 15.9568 6.84247 6.7067 11.5311 7.11498 6.59716 13.5801 9.7334 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 8.65997 9.62609 14.6185 6.95902 6.43754 8.55671 10.204 7.43071 19.0662 12.2922 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 10.204 7.43071 12.2922 19.0662 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 6.95902 6.43754 8.55671 9.72615 5.41321 14.0608 7.57454 numMergedOcc 0
47 mol 227 unq 1 iso 1 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 9.72615 5.41321 7.57454 14.0608 numMergedOcc 0
48 mol 264 unq 0 iso 0 dist 6.24356 9.0012 5.12409 9.5784 9.67998 6.20393 7.52936 5.93616 5.91213 7.34094 numMergedOcc 0
49 mol 264 unq 0 iso 1 dist 6.24356 9.5784 9.67998 9.0012 5.12409 6.20393 7.52936 5.93616 7.34094 5.91213 numMergedOcc 0
