0 mol 0 unq 0 iso 0 dist 7.37981 12.7599 9.6994 10.169 9.23213 5.08793 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 12.7599 9.6994 11.9257 8.81979 5.63197 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.37981 13.3337 7.15528 10.169 9.23213 10.4498 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.37981 13.3337 7.15528 11.9257 8.81979 5.52201 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.19621 9.95 9.6994 11.8799 9.23213 5.08793 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 7.19621 9.95 9.6994 5.13546 8.81979 5.63197 numMergedOcc 0
6 mol 0 unq 6 iso 0 dist 7.19621 6.83587 7.15528 11.8799 9.23213 10.4498 numMergedOcc 0
7 mol 0 unq 7 iso 0 dist 7.19621 6.83587 7.15528 5.13546 8.81979 5.52201 numMergedOcc 0
8 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 9.17096 7.31201 10.789 numMergedOcc 0
9 mol 7 unq 1 iso 0 dist 7.21217 6.09254 7.10621 12.4418 9.36807 10.515 numMergedOcc 0
10 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 5.1298 5.47769 6.2983 numMergedOcc 0
11 mol 16 unq 1 iso 0 dist 5.84479 6.53177 7.63133 5.1298 5.47769 5.94084 numMergedOcc 0
12 mol 16 unq 2 iso 0 dist 8.67719 6.53177 5.46498 5.1298 6.58035 5.94084 numMergedOcc 0
13 mol 16 unq 3 iso 0 dist 8.67719 6.53177 5.46498 13.18 8.41862 6.73355 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 9.74445 10.323 8.80331 12.8035 9.83618 10.4442 numMergedOcc 0
15 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 12.8035 9.83618 9.49077 numMergedOcc 0
16 mol 54 unq 0 iso 0 dist 6.59893 11.9881 9.5589 10.8658 5.02241 6.91765 numMergedOcc 0
17 mol 54 unq 1 iso 0 dist 6.59893 10.3564 6.83299 10.8658 5.02241 5.06052 numMergedOcc 0
18 mol 54 unq 2 iso 0 dist 6.59893 12.4254 8.10861 10.8658 5.02241 10.1332 numMergedOcc 0
19 mol 54 unq 3 iso 0 dist 5.59773 13.9079 9.5589 10.352 5.02241 6.91765 numMergedOcc 0
20 mol 54 unq 4 iso 0 dist 5.59773 10.4238 6.83299 10.352 5.02241 5.06052 numMergedOcc 0
21 mol 54 unq 5 iso 0 dist 5.59773 10.1356 8.10861 10.352 5.02241 10.1332 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 11.5448 9.64665 4.67832 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 17.0485 8.89374 6.47744 numMergedOcc 0
24 mol 61 unq 0 iso 0 dist 9.62468 10.7369 6.65721 6.91052 8.76003 5.83489 numMergedOcc 0
25 mol 61 unq 1 iso 0 dist 9.62468 11.5608 6.72123 6.91052 8.76003 7.39396 numMergedOcc 0
26 mol 61 unq 2 iso 0 dist 5.92705 5.4671 6.65721 7.34319 8.76003 5.83489 numMergedOcc 0
27 mol 61 unq 3 iso 0 dist 5.92705 10.1513 6.72123 7.34319 8.76003 7.39396 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 9.514 11.8037 7.4729 5.02124 5.81965 6.99832 numMergedOcc 0
29 mol 102 unq 0 iso 0 dist 9.10229 8.17186 7.36792 6.83631 9.94856 5.498 numMergedOcc 0
30 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 10.453 8.71128 5.80557 numMergedOcc 0
31 mol 117 unq 0 iso 0 dist 7.70533 6.29427 9.84395 12.4058 6.62561 11.3679 numMergedOcc 0
32 mol 117 unq 1 iso 0 dist 7.70533 14.3476 7.90328 12.4058 6.62561 4.91401 numMergedOcc 0
33 mol 126 unq 0 iso 0 dist 9.54928 7.01529 6.06638 13.0595 7.75534 7.01257 numMergedOcc 0
34 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 7.34983 9.81878 4.77464 numMergedOcc 0
35 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 10.4276 6.91348 6.19596 numMergedOcc 0
36 mol 131 unq 1 iso 0 dist 8.97145 14.257 6.85062 14.8011 9.51418 6.6499 numMergedOcc 0
37 mol 131 unq 2 iso 0 dist 6.5874 7.60371 6.85062 4.96935 6.91348 6.19596 numMergedOcc 0
38 mol 131 unq 3 iso 0 dist 6.5874 7.60371 6.85062 7.83921 9.51418 6.6499 numMergedOcc 0
39 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 5.81429 7.15475 9.49653 numMergedOcc 0
40 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 5.81429 7.15475 7.53854 numMergedOcc 0
41 mol 142 unq 2 iso 0 dist 7.57458 14.2067 8.96657 5.81429 7.15475 10.3477 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 9.10619 9.66339 8.56324 10.5988 9.13561 5.99333 numMergedOcc 0
43 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 10.5988 9.13561 8.25411 numMergedOcc 0
44 mol 152 unq 2 iso 0 dist 9.10619 14.2552 7.16148 10.5988 9.13561 7.89109 numMergedOcc 0
45 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 10.3893 6.27641 7.29758 numMergedOcc 0
46 mol 156 unq 1 iso 0 dist 7.30021 5.75141 8.94056 10.3893 6.27641 8.67156 numMergedOcc 0
47 mol 156 unq 2 iso 0 dist 7.30021 12.865 9.83699 10.3893 6.27641 4.53931 numMergedOcc 0
48 mol 156 unq 3 iso 0 dist 9.16591 9.27577 9.83699 4.95416 7.55203 6.29785 numMergedOcc 0
49 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 13.7622 9.52634 9.11521 numMergedOcc 0
50 mol 175 unq 1 iso 0 dist 8.69888 11.5099 9.0018 14.6255 9.8589 8.22779 numMergedOcc 0
51 mol 175 unq 2 iso 0 dist 8.69888 5.50014 5.6234 14.6255 9.8589 10.5631 numMergedOcc 0
52 mol 175 unq 3 iso 0 dist 8.69888 7.39186 6.57069 14.6255 9.8589 7.5414 numMergedOcc 0
53 mol 175 unq 4 iso 0 dist 5.08206 12.1783 9.0018 11.5085 9.8589 8.22779 numMergedOcc 0
54 mol 175 unq 5 iso 0 dist 5.08206 7.28617 5.6234 11.5085 9.8589 10.5631 numMergedOcc 0
55 mol 175 unq 6 iso 0 dist 5.08206 5.77256 6.57069 11.5085 9.8589 7.5414 numMergedOcc 0
56 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 11.6559 8.96511 10.5783 numMergedOcc 0
57 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 11.6559 8.96511 5.96647 numMergedOcc 0
58 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 11.6559 8.96511 12.075 numMergedOcc 0
59 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 11.6559 8.96511 9.92132 numMergedOcc 0
60 mol 197 unq 0 iso 0 dist 8.64255 11.8861 8.56633 10.1284 8.99696 9.82139 numMergedOcc 0
61 mol 197 unq 1 iso 0 dist 8.64255 11.8861 8.56633 9.91133 7.85058 8.72637 numMergedOcc 0
62 mol 197 unq 2 iso 0 dist 8.64255 11.8861 8.56633 8.50763 9.96638 5.69148 numMergedOcc 0
63 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 13.4309 6.97182 6.16485 numMergedOcc 0
64 mol 214 unq 1 iso 0 dist 8.49704 12.4611 9.65138 13.5787 6.1175 11.5712 numMergedOcc 0
65 mol 214 unq 2 iso 0 dist 8.49704 11.832 7.14453 13.4309 6.97182 5.33565 numMergedOcc 0
66 mol 214 unq 3 iso 0 dist 8.49704 11.832 7.14453 13.5787 6.1175 5.06792 numMergedOcc 0
67 mol 214 unq 4 iso 0 dist 8.49704 10.644 8.85478 13.4309 6.97182 8.47007 numMergedOcc 0
68 mol 214 unq 5 iso 0 dist 8.49704 10.644 8.85478 13.5787 6.1175 12.8334 numMergedOcc 0
69 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 12.3402 6.84247 6.7067 numMergedOcc 0
70 mol 220 unq 1 iso 0 dist 7.31105 14.6296 9.23153 7.84277 6.99002 15.9568 numMergedOcc 0
71 mol 220 unq 2 iso 0 dist 7.31105 9.52692 8.24498 12.3402 6.84247 6.05129 numMergedOcc 0
72 mol 220 unq 3 iso 0 dist 7.31105 9.52692 8.24498 7.84277 6.99002 11.1321 numMergedOcc 0
73 mol 224 unq 0 iso 0 dist 6.56437 14.2632 8.95269 11.7838 7.06793 9.36098 numMergedOcc 0
74 mol 224 unq 1 iso 0 dist 6.56437 14.2632 8.95269 10.4999 6.67585 5.29877 numMergedOcc 0
75 mol 224 unq 2 iso 0 dist 6.23882 15.0038 8.95269 9.57742 7.06793 9.36098 numMergedOcc 0
76 mol 224 unq 3 iso 0 dist 6.23882 15.0038 8.95269 12.0368 6.67585 5.29877 numMergedOcc 0
77 mol 224 unq 4 iso 0 dist 9.53131 9.59595 8.95269 8.30442 7.06793 9.36098 numMergedOcc 0
78 mol 224 unq 5 iso 0 dist 9.53131 9.59595 8.95269 4.63666 6.67585 5.29877 numMergedOcc 0
79 mol 224 unq 6 iso 0 dist 9.34636 5.63485 8.95269 5.46434 7.06793 9.36098 numMergedOcc 0
80 mol 224 unq 7 iso 0 dist 9.34636 5.63485 8.95269 5.03449 6.67585 5.29877 numMergedOcc 0
81 mol 224 unq 8 iso 0 dist 9.33771 5.41021 8.95269 11.498 6.87664 7.98696 numMergedOcc 0
82 mol 224 unq 9 iso 0 dist 9.33771 4.91322 6.57273 11.498 6.87664 7.12232 numMergedOcc 0
83 mol 224 unq 10 iso 0 dist 9.33771 12.979 5.78342 11.498 6.87664 5.3621 numMergedOcc 0
84 mol 224 unq 11 iso 0 dist 9.79616 5.63485 6.57273 5.03449 6.65984 5.29877 numMergedOcc 0
85 mol 224 unq 12 iso 0 dist 9.79616 9.36962 6.60589 5.03449 6.65984 6.12232 numMergedOcc 0
86 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 9.90298 6.16063 11.3297 numMergedOcc 0
87 mol 234 unq 1 iso 0 dist 5.00515 10.2063 8.92474 9.90298 6.16063 10.2563 numMergedOcc 0
88 mol 238 unq 0 iso 0 dist 9.75174 13.477 6.57393 5.1967 6.91569 10.9761 numMergedOcc 0
89 mol 238 unq 1 iso 0 dist 6.83152 10.8336 6.57393 6.03021 5.38637 6.20606 numMergedOcc 0
90 mol 238 unq 2 iso 0 dist 5.24313 12.1448 7.31233 6.03021 6.55759 10.4664 numMergedOcc 0
91 mol 238 unq 3 iso 0 dist 5.24313 12.1448 7.31233 5.27451 7.02475 11.2717 numMergedOcc 0
92 mol 238 unq 4 iso 0 dist 5.24313 12.1448 7.31233 6.23871 7.67322 12.6986 numMergedOcc 0
93 mol 238 unq 5 iso 0 dist 5.24313 12.1448 7.31233 11.3884 7.19008 5.17471 numMergedOcc 0
94 mol 238 unq 6 iso 0 dist 9.31417 6.62361 5.72887 18.4149 9.29858 13.069 numMergedOcc 0
95 mol 238 unq 7 iso 0 dist 5.56719 5.96552 5.72887 14.7671 9.29858 13.069 numMergedOcc 0
96 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 4.11367 6.07192 6.48757 numMergedOcc 0
97 mol 248 unq 1 iso 0 dist 8.71859 6.33032 7.21521 4.11367 6.07192 5.51827 numMergedOcc 0
98 mol 248 unq 2 iso 0 dist 8.71859 11.762 8.2965 4.11367 6.07192 9.29921 numMergedOcc 0
99 mol 249 unq 0 iso 0 dist 7.29898 6.6173 7.57994 4.16447 8.83735 5.23473 numMergedOcc 0
100 mol 249 unq 1 iso 0 dist 7.29898 8.95486 6.18582 4.16447 8.83735 7.38675 numMergedOcc 0
101 mol 249 unq 2 iso 0 dist 8.91685 5.25611 7.57994 6.74838 8.83735 5.23473 numMergedOcc 0
102 mol 249 unq 3 iso 0 dist 8.91685 9.66184 6.18582 6.74838 8.83735 7.38675 numMergedOcc 0
103 mol 253 unq 0 iso 0 dist 7.7993 13.0587 9.02271 14.5897 7.19465 7.92528 numMergedOcc 0
104 mol 253 unq 1 iso 0 dist 6.10761 4.70422 9.02271 8.77813 7.19465 7.92528 numMergedOcc 0
105 mol 259 unq 0 iso 0 dist 9.58006 5.71237 7.88519 15.1483 7.48005 11.6195 numMergedOcc 0
106 mol 259 unq 1 iso 0 dist 9.58006 9.10984 7.84554 15.1483 7.48005 11.8736 numMergedOcc 0
107 mol 259 unq 2 iso 0 dist 9.58006 11.8501 7.46176 15.1483 7.48005 5.79468 numMergedOcc 0
108 mol 259 unq 3 iso 0 dist 9.58006 13.9868 9.18903 15.1483 7.48005 12.6649 numMergedOcc 0
109 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 11.5698 9.09992 10.841 numMergedOcc 0
110 mol 272 unq 1 iso 0 dist 9.1118 11.082 9.97651 11.0654 6.16449 4.72202 numMergedOcc 0
111 mol 272 unq 2 iso 0 dist 9.1118 6.72149 8.46116 11.5698 9.09992 5.63139 numMergedOcc 0
112 mol 272 unq 3 iso 0 dist 9.1118 6.72149 8.46116 11.0654 6.16449 8.52877 numMergedOcc 0
113 mol 272 unq 4 iso 0 dist 6.94346 9.58279 8.33638 5.40622 6.73206 5.63139 numMergedOcc 0
114 mol 276 unq 0 iso 0 dist 9.05218 5.72513 9.8993 11.6861 8.76347 7.54851 numMergedOcc 0
115 mol 276 unq 1 iso 0 dist 9.05218 8.86096 6.87396 11.6861 8.76347 6.4102 numMergedOcc 0
116 mol 277 unq 0 iso 0 dist 6.90434 13.2927 9.7748 9.14131 9.41725 6.58374 numMergedOcc 0
117 mol 278 unq 0 iso 0 dist 9.82774 10.5903 8.44326 4.8589 6.35287 6.07447 numMergedOcc 0
118 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 5.41716 8.8673 10.1236 numMergedOcc 0
119 mol 282 unq 1 iso 0 dist 5.67266 4.58403 8.76532 5.41716 8.8673 8.14825 numMergedOcc 0
120 mol 282 unq 2 iso 0 dist 5.67266 5.04235 6.33524 5.41716 8.8673 7.36881 numMergedOcc 0
121 mol 282 unq 3 iso 0 dist 5.80981 9.60898 8.04483 5.37323 8.8673 10.1236 numMergedOcc 0
122 mol 282 unq 4 iso 0 dist 5.80981 10.5698 8.76532 5.37323 8.8673 8.14825 numMergedOcc 0
123 mol 282 unq 5 iso 0 dist 5.80981 8.37652 6.33524 5.37323 8.8673 7.36881 numMergedOcc 0
124 mol 282 unq 6 iso 0 dist 9.63346 4.85461 8.04483 14.5422 8.8673 10.1236 numMergedOcc 0
125 mol 282 unq 7 iso 0 dist 9.63346 13.108 8.76532 14.5422 8.8673 8.14825 numMergedOcc 0
126 mol 282 unq 8 iso 0 dist 9.63346 8.85797 6.33524 14.5422 8.8673 7.36881 numMergedOcc 0
