0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 14.7759 9.68596 11.024 10.3148 5.03847 10.1959 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 14.7759 9.68596 15.0497 10.3148 5.03847 13.9514 6.14469 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 6.92532 5.18512 4.97119 6.41575 6.39966 7.75618 9.74255 13.9675 9.95212 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.82074 6.36455 5.18512 6.01808 6.41575 6.39966 12.3215 9.74255 13.9675 9.95212 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.864 6.92532 9.47529 4.97119 6.41423 6.39966 7.75618 7.08342 13.9675 9.95212 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 4.32034 7.33768 9.69752 9.41441 6.66749 11.9395 8.00171 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.67951 9.01567 12.7806 9.41441 6.66749 11.9395 4.2121 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 9.41441 6.66749 11.9395 6.72323 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 12.9284 4.32034 10.025 8.00171 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 17.592 12.2662 13.0149 5.95834 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 13.4393 8.67951 9.14963 4.2121 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 8.60554 8.52463 6.99746 6.72323 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 9.41441 14.012 11.9395 6.72323 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 6.73939 12.176 10.0715 6.72323 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 18.673 12.176 10.0715 6.72323 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 7.45383 7.33728 11.7817 6.25843 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 9.01548 13.9331 9.12941 8.88938 numMergedOcc 0
17 mol 25 unq 2 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 6.16347 9.34396 11.0508 6.25843 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 13.8469 10.5328 18.98 8.88938 numMergedOcc 0
19 mol 25 unq 4 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 6.16347 10.8498 11.0508 6.25843 numMergedOcc 0
20 mol 25 unq 5 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 13.8469 10.4337 18.98 8.88938 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 12.1382 6.29906 7.86177 8.87464 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 10.2755 6.29906 7.86177 8.87464 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 8.70481 8.85586 14.8866 15.3808 9.24757 17.0441 10.8139 6.29906 14.0119 8.87464 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 8.70481 7.11 8.05119 15.3808 9.24757 10.8937 10.8139 6.29906 5.81157 8.87464 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 14.4725 10.4987 8.31077 9.66222 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 11.3043 7.94178 8.02554 7.36769 numMergedOcc 0
27 mol 98 unq 1 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 6.65501 4.4057 11.2092 6.88901 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 11.3043 9.85543 8.02554 7.36769 numMergedOcc 0
29 mol 98 unq 3 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 6.65501 9.67482 11.2092 6.88901 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 12.2861 8.30845 20.8516 21.075 15.3454 28.9325 9.5057 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 7.47343 7.12017 12.6602 12.2861 8.30845 13.9603 21.075 15.3454 22.2825 9.5057 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 4.55551 6.28565 9.94578 9.36851 10.7293 6.84211 9.73158 numMergedOcc 0
33 mol 129 unq 1 iso 0 dist 5.83384 8.03372 6.67948 4.55551 6.28565 9.94578 4.97175 7.29399 4.53459 7.59327 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 6.54501 5.53031 5.35679 5.71679 7.69991 10.0154 7.80532 7.41674 8.98004 6.40575 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 10.5252 9.87376 14.2253 6.40575 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 6.49416 5.53031 8.46636 5.71679 6.23142 10.0154 7.80532 9.87376 8.98004 6.40575 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 10.5252 14.9876 14.2253 6.40575 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 8.34702 9.43259 6.44255 10.4977 7.30357 13.0899 13.0658 5.81563 11.3995 8.21184 numMergedOcc 0
39 mol 156 unq 1 iso 0 dist 8.34702 9.43259 6.44255 10.4977 7.30357 13.0899 12.7005 5.52796 11.2781 5.41575 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 8.34702 9.43259 6.44255 12.4274 8.61587 14.9434 13.0658 5.81563 11.3995 5.9976 numMergedOcc 0
41 mol 156 unq 3 iso 0 dist 8.34702 9.43259 6.44255 12.4274 8.61587 14.9434 12.7005 5.52796 11.2781 6.86566 numMergedOcc 0
42 mol 156 unq 4 iso 0 dist 8.34702 6.2319 5.82636 10.4977 7.30357 10.6589 13.0658 5.81563 11.6326 8.21184 numMergedOcc 0
43 mol 156 unq 5 iso 0 dist 8.34702 6.2319 5.82636 10.4977 7.30357 10.6589 12.7005 5.52796 10.583 5.41575 numMergedOcc 0
44 mol 156 unq 6 iso 0 dist 8.34702 6.2319 5.82636 12.4274 8.61587 13.5954 13.0658 5.81563 11.6326 5.9976 numMergedOcc 0
45 mol 156 unq 7 iso 0 dist 8.34702 6.2319 5.82636 12.4274 8.61587 13.5954 12.7005 5.52796 10.583 6.86566 numMergedOcc 0
46 mol 156 unq 8 iso 0 dist 9.06726 9.97732 5.82636 12.3086 7.30357 10.6589 11.5017 5.81563 11.6326 8.21184 numMergedOcc 0
47 mol 156 unq 9 iso 0 dist 9.06726 9.97732 5.82636 12.3086 7.30357 10.6589 13.258 5.52796 10.583 5.41575 numMergedOcc 0
48 mol 156 unq 10 iso 0 dist 9.06726 9.97732 5.82636 10.9151 8.61587 13.5954 11.5017 5.81563 11.6326 5.9976 numMergedOcc 0
49 mol 156 unq 11 iso 0 dist 9.06726 9.97732 5.82636 10.9151 8.61587 13.5954 13.258 5.52796 10.583 6.86566 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 6.6251 6.2479 10.8541 12.4878 4.43096 17.0176 7.32087 numMergedOcc 0
51 mol 181 unq 1 iso 0 dist 9.1374 6.51749 13.8722 6.6251 6.2479 10.8541 10.6908 8.04639 11.1881 8.86197 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 5.98885 6.51749 5.93488 5.6044 9.72611 7.11785 11.602 12.7358 8.30281 7.22883 numMergedOcc 0
53 mol 181 unq 3 iso 0 dist 5.98885 6.51749 5.93488 6.6251 7.99195 10.8541 12.4878 12.2164 17.0176 7.32087 numMergedOcc 0
54 mol 181 unq 4 iso 0 dist 5.98885 6.51749 5.93488 6.6251 7.99195 10.8541 10.6908 5.77299 11.1881 8.86197 numMergedOcc 0
55 mol 181 unq 5 iso 0 dist 9.09537 7.20392 5.93488 12.9468 9.72611 7.11785 14.8662 12.7358 8.30281 7.22883 numMergedOcc 0
56 mol 181 unq 6 iso 0 dist 9.09537 7.20392 5.93488 10.09 7.99195 10.8541 16.4314 12.2164 17.0176 7.32087 numMergedOcc 0
57 mol 181 unq 7 iso 0 dist 9.09537 7.20392 5.93488 10.09 7.99195 10.8541 11.3325 5.77299 11.1881 8.86197 numMergedOcc 0
58 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 13.7227 12.5452 7.86594 9.78181 numMergedOcc 0
59 mol 232 unq 1 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 9.05071 8.80479 13.8622 9.8664 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 9.85289 6.20558 5.36428 6.88827 numMergedOcc 0
61 mol 274 unq 1 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 14.1515 16.3619 14.986 9.16942 numMergedOcc 0
62 mol 274 unq 2 iso 0 dist 7.56915 8.49922 9.27829 5.29529 8.52587 10.4781 9.85289 6.20558 11.9754 6.88827 numMergedOcc 0
63 mol 274 unq 3 iso 0 dist 7.56915 8.49922 9.27829 5.29529 8.52587 10.4781 14.1515 16.3619 18.8429 9.16942 numMergedOcc 0
