0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 5.03847 10.3148 9.97624 10.6581 15.8875 15.9584 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 5.03847 10.3148 9.97624 10.5461 12.2041 10.515 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 18.3807 11.8172 15.9584 6.02702 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 4.97119 10.741 5.82366 4.54938 7.34551 5.14627 6.41575 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 4.97119 10.741 5.82366 6.864 7.07775 4.69858 6.41423 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 7.20519 9.80108 5.5841 4.96411 7.75618 7.02548 10.4091 7.67038 6.74265 8.40416 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 4.51865 5.80928 4.69858 6.41423 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 6.864 5.80928 4.69858 6.41423 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 8.4674 5.80928 5.14627 6.41575 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 6.864 7.67038 5.5841 7.75618 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 4.54938 5.80928 5.14627 6.41575 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 6.864 8.58657 5.5841 7.08342 7.75618 7.02548 4.51865 7.67038 6.74265 8.40416 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 10.7082 10.6216 5.55096 11.5838 5.101 5.54436 9.53378 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 9.5589 5.02241 6.91765 4.29856 10.6808 6.30987 6.83299 5.08001 5.06052 6.14538 numMergedOcc 0
14 mol 54 unq 1 iso 0 dist 8.10861 5.02241 10.1332 4.29856 10.4158 6.30987 6.83299 14.2075 5.06052 6.14538 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 5.85698 9.86039 9.11258 10.3224 9.94737 6.47744 8.80614 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 11.387 12.3035 8.71468 13.4544 10.6169 6.75888 7.21955 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 9.4099 9.73139 5.24906 12.2123 9.86039 9.11258 15.4557 9.94737 6.47744 8.80614 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 9.4099 6.31428 5.11205 5.74871 12.3035 8.71468 9.55426 10.6169 6.75888 7.21955 numMergedOcc 0
19 mol 58 unq 4 iso 0 dist 9.55426 9.73139 13.1021 12.2123 18.8985 9.11258 15.4557 19.4068 6.47744 8.80614 numMergedOcc 0
20 mol 59 unq 0 iso 0 dist 6.85766 6.71911 7.29033 9.64444 14.8852 9.2902 7.71095 10.0246 5.33688 6.73347 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 5.11416 13.8696 7.10439 9.96396 15.7123 7.41074 9.24757 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 5.93252 5.64598 9.77992 8.44406 13.6162 7.10439 11.4799 16.5689 7.41074 9.24757 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 9.75218 8.70133 15.9882 5.11416 13.0145 7.10439 9.96396 12.016 7.41074 9.24757 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 8.55834 10.5753 7.1539 12.4557 15.2227 9.97281 5.37007 numMergedOcc 0
25 mol 92 unq 1 iso 0 dist 6.82344 9.70512 6.99832 7.76866 10.5753 7.1539 13.0635 15.2227 9.97281 5.37007 numMergedOcc 0
26 mol 126 unq 0 iso 0 dist 6.06638 7.75534 7.01257 8.01268 10.0699 5.14819 12.1603 12.1412 5.15767 6.29233 numMergedOcc 0
27 mol 126 unq 1 iso 0 dist 6.06638 7.75534 7.01257 10.2072 12.8712 6.84245 12.1603 12.1412 5.15767 5.42406 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 8.00618 7.92688 12.2037 5.92062 13.5028 6.51868 7.11802 8.18495 4.68409 9.22661 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 8.00618 7.92688 12.2037 6.61891 11.8433 7.34698 7.11802 8.18495 4.68409 7.56378 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 5.71679 7.69991 8.73604 6.49416 5.00526 5.41704 6.23142 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 6.54501 8.6355 10.1448 5.71679 7.69991 8.73604 12.5075 11.3271 6.17103 9.94764 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 8.94367 8.79571 5.41704 4.57832 6.23142 8.73604 11.9139 5.00526 10.1448 7.69991 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 8.94367 8.79571 5.41704 4.57832 6.23142 8.73604 9.86662 6.81259 6.17103 9.94764 numMergedOcc 0
34 mol 134 unq 4 iso 0 dist 6.37586 5.42582 5.41704 5.29786 6.23142 8.73604 9.5126 5.00526 10.1448 7.69991 numMergedOcc 0
35 mol 134 unq 5 iso 0 dist 6.37586 5.42582 5.41704 5.29786 6.23142 8.73604 9.71307 6.81259 6.17103 9.94764 numMergedOcc 0
36 mol 134 unq 6 iso 0 dist 6.49416 8.6355 5.41704 5.71679 6.23142 8.73604 6.54501 5.00526 10.1448 7.69991 numMergedOcc 0
37 mol 134 unq 7 iso 0 dist 6.49416 8.6355 5.41704 5.71679 6.23142 8.73604 12.5075 6.81259 6.17103 9.94764 numMergedOcc 0
38 mol 134 unq 8 iso 0 dist 9.86662 8.79571 6.17103 4.57832 9.94764 8.73604 11.9139 11.3271 10.1448 7.69991 numMergedOcc 0
39 mol 134 unq 9 iso 0 dist 9.86662 8.79571 6.17103 4.57832 9.94764 8.73604 8.94367 6.81259 5.41704 6.23142 numMergedOcc 0
40 mol 134 unq 10 iso 0 dist 9.71307 5.42582 6.17103 5.29786 9.94764 8.73604 9.5126 11.3271 10.1448 7.69991 numMergedOcc 0
41 mol 134 unq 11 iso 0 dist 9.71307 5.42582 6.17103 5.29786 9.94764 8.73604 6.37586 6.81259 5.41704 6.23142 numMergedOcc 0
42 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 10.4923 10.9606 9.0529 12.1555 10.6882 5.48883 8.69157 numMergedOcc 0
43 mol 155 unq 1 iso 0 dist 6.23493 7.16254 6.3845 10.4923 10.9606 9.0529 13.5605 10.7349 9.36596 6.53347 numMergedOcc 0
44 mol 155 unq 2 iso 0 dist 6.23493 9.86313 5.86939 11.0769 12.2416 9.80845 10.2463 7.66392 6.34186 7.92304 numMergedOcc 0
45 mol 155 unq 3 iso 0 dist 6.23493 9.86313 5.86939 10.4923 10.9606 7.55196 12.1555 10.6882 8.78665 8.69157 numMergedOcc 0
46 mol 155 unq 4 iso 0 dist 6.23493 9.86313 5.86939 10.4923 10.9606 7.55196 13.5605 10.7349 5.40375 6.53347 numMergedOcc 0
47 mol 155 unq 5 iso 0 dist 7.46303 9.14392 6.3845 6.89781 10.9606 9.0529 12.3052 10.6882 5.48883 8.69157 numMergedOcc 0
48 mol 155 unq 6 iso 0 dist 7.46303 9.14392 6.3845 6.89781 10.9606 9.0529 10.7829 10.7349 9.36596 6.53347 numMergedOcc 0
49 mol 155 unq 7 iso 0 dist 7.46303 7.51198 5.86939 5.50031 12.2416 9.80845 6.43582 7.66392 6.34186 7.92304 numMergedOcc 0
50 mol 155 unq 8 iso 0 dist 7.46303 7.51198 5.86939 6.89781 10.9606 7.55196 12.3052 10.6882 8.78665 8.69157 numMergedOcc 0
51 mol 155 unq 9 iso 0 dist 7.46303 7.51198 5.86939 6.89781 10.9606 7.55196 10.7829 10.7349 5.40375 6.53347 numMergedOcc 0
52 mol 155 unq 10 iso 0 dist 6.43582 9.14392 12.1814 6.89781 10.3161 9.0529 12.3052 14.7007 5.48883 8.69157 numMergedOcc 0
53 mol 155 unq 11 iso 0 dist 6.43582 9.14392 12.1814 6.89781 10.3161 9.0529 10.7829 10.7616 9.36596 6.53347 numMergedOcc 0
54 mol 155 unq 12 iso 0 dist 6.43582 7.51198 6.34186 6.89781 10.3161 7.55196 12.3052 14.7007 8.78665 8.69157 numMergedOcc 0
55 mol 155 unq 13 iso 0 dist 6.43582 7.51198 6.34186 6.89781 10.3161 7.55196 10.7829 10.7616 5.40375 6.53347 numMergedOcc 0
56 mol 156 unq 0 iso 0 dist 8.34702 7.36119 11.787 5.81563 13.0658 6.05323 11.6719 13.7169 8.31653 9.00416 numMergedOcc 0
57 mol 156 unq 1 iso 0 dist 7.44554 6.27641 7.29758 5.4555 9.44367 5.81122 8.94056 5.56175 8.67156 7.90267 numMergedOcc 0
58 mol 156 unq 2 iso 0 dist 8.94056 6.27641 8.67156 5.4555 7.90267 5.81122 7.44554 5.56175 7.29758 9.44367 numMergedOcc 0
59 mol 156 unq 3 iso 0 dist 9.83699 6.27641 4.53931 5.4555 10.3379 5.81122 7.44554 8.38403 7.29758 9.44367 numMergedOcc 0
60 mol 156 unq 4 iso 0 dist 9.83699 6.27641 4.53931 5.4555 10.3379 5.81122 8.94056 11.2719 8.67156 7.90267 numMergedOcc 0
61 mol 156 unq 5 iso 0 dist 9.06726 7.36119 7.71144 5.81563 11.5017 6.05323 11.6719 9.93262 8.31653 9.00416 numMergedOcc 0
62 mol 156 unq 6 iso 0 dist 8.33171 7.36119 9.22231 5.81563 10.0063 6.05323 11.6719 7.53284 8.31653 9.00416 numMergedOcc 0
63 mol 175 unq 0 iso 0 dist 9.0018 9.8589 8.22779 8.29015 10.4182 5.4997 6.57069 8.16421 7.5414 9.77896 numMergedOcc 0
64 mol 175 unq 1 iso 0 dist 7.652 7.24908 8.22779 4.63177 10.4182 5.4997 10.2623 8.16421 7.5414 9.77896 numMergedOcc 0
65 mol 175 unq 2 iso 0 dist 5.6234 9.8589 10.5631 8.29015 11.6765 5.4997 6.57069 5.35493 7.5414 9.77896 numMergedOcc 0
66 mol 175 unq 3 iso 0 dist 9.92231 7.24908 10.5631 4.63177 11.6765 5.4997 10.2623 5.35493 7.5414 9.77896 numMergedOcc 0
67 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.6251 6.2479 9.06217 9.94371 6.01247 10.5753 6.22122 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 9.1374 6.94688 6.25083 6.6251 6.2479 9.06217 5.98885 8.88798 5.86342 7.99195 numMergedOcc 0
69 mol 181 unq 2 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 9.94371 6.01247 5.88819 6.22122 numMergedOcc 0
70 mol 181 unq 3 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 5.98885 8.88798 9.14057 7.99195 numMergedOcc 0
71 mol 181 unq 4 iso 0 dist 5.98885 6.94688 5.86342 6.6251 7.99195 9.06217 9.1374 8.88798 6.25083 6.2479 numMergedOcc 0
72 mol 181 unq 5 iso 0 dist 5.98885 6.94688 5.86342 6.6251 7.99195 9.06217 9.94371 12.6324 10.5753 6.22122 numMergedOcc 0
73 mol 181 unq 6 iso 0 dist 5.98885 6.71012 9.14057 6.6251 7.99195 7.13252 9.1374 8.88798 4.77278 6.2479 numMergedOcc 0
74 mol 181 unq 7 iso 0 dist 5.98885 6.71012 9.14057 6.6251 7.99195 7.13252 9.94371 12.6324 5.88819 6.22122 numMergedOcc 0
75 mol 181 unq 8 iso 0 dist 5.98885 7.13543 10.0524 5.77299 10.6908 6.32777 10.7062 13.2049 7.07409 6.59025 numMergedOcc 0
76 mol 181 unq 9 iso 0 dist 9.09537 7.13543 5.95965 5.77299 11.3325 6.32777 10.7062 12.8522 7.07409 6.59025 numMergedOcc 0
77 mol 181 unq 10 iso 0 dist 9.15386 6.94688 6.80228 6.6251 12.8533 9.06217 9.1374 12.1628 6.25083 6.2479 numMergedOcc 0
78 mol 181 unq 11 iso 0 dist 9.15386 6.94688 6.80228 6.6251 12.8533 9.06217 9.94371 16.5106 10.5753 6.22122 numMergedOcc 0
79 mol 181 unq 12 iso 0 dist 9.15386 6.94688 6.80228 6.6251 12.8533 9.06217 5.98885 5.16002 5.86342 7.99195 numMergedOcc 0
80 mol 181 unq 13 iso 0 dist 9.15386 6.71012 11.6919 6.6251 12.8533 7.13252 9.1374 12.1628 4.77278 6.2479 numMergedOcc 0
81 mol 181 unq 14 iso 0 dist 9.15386 6.71012 11.6919 6.6251 12.8533 7.13252 9.94371 16.5106 5.88819 6.22122 numMergedOcc 0
82 mol 181 unq 15 iso 0 dist 9.15386 6.71012 11.6919 6.6251 12.8533 7.13252 5.98885 5.16002 9.14057 7.99195 numMergedOcc 0
83 mol 181 unq 16 iso 0 dist 7.81386 7.98142 9.53462 5.63555 10.4943 5.97685 7.63312 8.85576 9.60512 5.9176 numMergedOcc 0
84 mol 181 unq 17 iso 0 dist 7.81386 7.37327 11.1462 5.63555 10.4943 8.9289 7.63312 8.85576 13.3389 5.9176 numMergedOcc 0
85 mol 227 unq 0 iso 0 dist 7.09863 8.17891 9.13836 10.9607 9.74265 7.57454 7.22101 4.39704 6.43754 5.41321 numMergedOcc 0
86 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 10.0059 17.6227 7.43663 10.3625 19.022 5.9221 7.32499 numMergedOcc 0
87 mol 234 unq 1 iso 0 dist 6.7625 9.5707 14.4106 10.0059 12.6238 7.43663 10.3625 16.0265 5.9221 7.32499 numMergedOcc 0
88 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 7.60081 9.55668 7.95766 11.3258 9.89669 6.43692 6.95126 numMergedOcc 0
89 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 8.81835 7.98231 8.71497 7.46176 6.96053 5.79468 7.08526 numMergedOcc 0
90 mol 259 unq 1 iso 0 dist 7.84554 7.48005 11.8736 8.81835 11.6972 8.71497 7.88519 4.86771 11.6195 7.98231 numMergedOcc 0
91 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 8.81835 11.6972 8.71497 7.46176 7.64658 5.79468 7.08526 numMergedOcc 0
92 mol 259 unq 3 iso 0 dist 7.46176 7.48005 5.79468 8.81835 7.08526 8.71497 7.88519 6.96053 11.6195 7.98231 numMergedOcc 0
93 mol 259 unq 4 iso 0 dist 5.30224 8.37865 5.31048 8.75685 10.4552 8.71497 15.9169 15.8535 11.6195 7.98231 numMergedOcc 0
94 mol 259 unq 5 iso 0 dist 5.30224 8.37865 5.31048 8.75685 10.4552 8.71497 11.858 9.98105 5.79468 7.08526 numMergedOcc 0
95 mol 259 unq 6 iso 0 dist 9.18903 7.48005 12.6649 8.81835 15.8414 8.71497 7.88519 10.4881 11.6195 7.98231 numMergedOcc 0
96 mol 259 unq 7 iso 0 dist 9.18903 7.48005 12.6649 8.81835 15.8414 8.71497 7.46176 10.5239 5.79468 7.08526 numMergedOcc 0
97 mol 264 unq 0 iso 0 dist 9.361 9.0012 9.74238 7.52936 13.2142 5.91213 6.24356 10.3202 5.12409 5.93616 numMergedOcc 0
98 mol 264 unq 1 iso 0 dist 9.361 9.5784 9.85579 7.52936 13.2142 7.34094 6.24356 10.3202 9.67998 5.93616 numMergedOcc 0
