0 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.7652 10.323 8.80331 15.8918 14.445 6.20293 8.13395 16.4993 12.8035 9.83618 10.4442 9.49077 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 15.7652 10.323 8.80331 8.13395 16.4993 12.8035 9.83618 9.49077 10.4442 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 9.17086 10.323 8.80331 10.615 14.445 6.20293 8.13395 14.2386 12.8035 9.83618 10.4442 9.49077 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 9.17086 10.323 8.80331 8.13395 14.2386 12.8035 9.83618 9.49077 10.4442 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 10.5929 10.4238 6.83299 5.08001 8.41365 10.352 5.02241 6.91765 5.06052 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 14.4402 13.9079 9.5589 5.08001 8.41365 10.352 5.02241 5.06052 6.91765 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 6.54183 10.1356 8.10861 16.3192 8.41365 10.352 5.02241 6.91765 10.1332 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 14.4402 13.9079 9.5589 16.3192 8.41365 10.352 5.02241 10.1332 6.91765 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 6.54183 10.1356 8.10861 14.2075 8.41365 10.352 5.02241 5.06052 10.1332 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 10.5929 10.4238 6.83299 14.2075 8.41365 10.352 5.02241 10.1332 5.06052 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 10.5531 5.4671 6.65721 13.6393 10.1513 6.72123 6.86346 13.6867 7.34319 8.76003 5.83489 7.39396 numMergedOcc 0
11 mol 61 unq 0 iso 1 dist 6.85094 7.15161 5.92705 13.6393 10.1513 6.72123 10.5531 5.4671 6.65721 6.86346 13.6867 7.34319 8.76003 7.39396 5.83489 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 9.94756 18.7183 9.62468 20.4711 10.7369 6.65721 19.7171 11.5608 6.72123 6.86346 15.5943 6.91052 8.76003 5.83489 7.39396 numMergedOcc 0
13 mol 61 unq 1 iso 1 dist 9.94756 18.7183 9.62468 19.7171 11.5608 6.72123 20.4711 10.7369 6.65721 6.86346 15.5943 6.91052 8.76003 7.39396 5.83489 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 8.81172 6.29427 9.84395 11.6152 14.3476 7.90328 13.1058 11.3437 12.4058 6.62561 11.3679 4.91401 numMergedOcc 0
15 mol 117 unq 0 iso 1 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 8.81172 6.29427 9.84395 13.1058 11.3437 12.4058 6.62561 4.91401 11.3679 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.2109 12.288 7.73169 5.50998 9.14076 5.81429 7.15475 9.49653 7.53854 numMergedOcc 0
17 mol 142 unq 0 iso 1 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 14.3662 13.1936 9.2313 5.50998 9.14076 5.81429 7.15475 7.53854 9.49653 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.7988 14.2067 8.96657 11.1395 9.14076 5.81429 7.15475 9.49653 10.3477 numMergedOcc 0
19 mol 142 unq 1 iso 1 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 14.3662 13.1936 9.2313 11.1395 9.14076 5.81429 7.15475 10.3477 9.49653 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 13.7988 14.2067 8.96657 5.92693 9.14076 5.81429 7.15475 7.53854 10.3477 numMergedOcc 0
21 mol 142 unq 1 iso 1 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 13.2109 12.288 7.73169 5.92693 9.14076 5.81429 7.15475 10.3477 7.53854 numMergedOcc 0
22 mol 142 unq 2 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 10.5719 12.288 7.73169 5.50998 9.15112 5.81429 7.15475 9.49653 7.53854 numMergedOcc 0
23 mol 142 unq 2 iso 1 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 7.15087 13.1936 9.2313 5.50998 9.15112 5.81429 7.15475 7.53854 9.49653 numMergedOcc 0
24 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 15.3413 14.2067 8.96657 11.1395 9.15112 5.81429 7.15475 9.49653 10.3477 numMergedOcc 0
25 mol 142 unq 3 iso 1 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 7.15087 13.1936 9.2313 11.1395 9.15112 5.81429 7.15475 10.3477 9.49653 numMergedOcc 0
26 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 15.3413 14.2067 8.96657 5.92693 9.15112 5.81429 7.15475 7.53854 10.3477 numMergedOcc 0
27 mol 142 unq 3 iso 1 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 10.5719 12.288 7.73169 5.92693 9.15112 5.81429 7.15475 10.3477 7.53854 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 16.0753 13.9994 6.70283 7.65448 16.6251 10.5988 9.13561 5.99333 8.25411 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 15.3848 9.66339 8.56324 7.65448 16.6251 10.5988 9.13561 8.25411 5.99333 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 16.0158 14.2552 7.16148 10.6875 16.6251 10.5988 9.13561 5.99333 7.89109 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 15.3848 9.66339 8.56324 10.6875 16.6251 10.5988 9.13561 7.89109 5.99333 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 16.0158 14.2552 7.16148 5.49936 16.6251 10.5988 9.13561 8.25411 7.89109 numMergedOcc 0
33 mol 152 unq 1 iso 1 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 16.0753 13.9994 6.70283 5.49936 16.6251 10.5988 9.13561 7.89109 8.25411 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 7.11647 5.75141 8.94056 5.56175 9.40225 10.3893 6.27641 7.29758 8.67156 numMergedOcc 0
35 mol 156 unq 0 iso 1 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 9.19499 5.0966 7.44554 5.56175 9.40225 10.3893 6.27641 8.67156 7.29758 numMergedOcc 0
36 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 13.581 12.865 9.83699 8.38403 9.40225 10.3893 6.27641 7.29758 4.53931 numMergedOcc 0
37 mol 156 unq 1 iso 1 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 9.19499 5.0966 7.44554 8.38403 9.40225 10.3893 6.27641 4.53931 7.29758 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 13.581 12.865 9.83699 11.2719 9.40225 10.3893 6.27641 8.67156 4.53931 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 7.11647 5.75141 8.94056 11.2719 9.40225 10.3893 6.27641 4.53931 8.67156 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 13.465 5.75141 8.94056 5.56175 16.1608 10.3893 6.27641 7.29758 8.67156 numMergedOcc 0
41 mol 156 unq 2 iso 1 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 9.97623 5.0966 7.44554 5.56175 16.1608 10.3893 6.27641 8.67156 7.29758 numMergedOcc 0
42 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 16.944 12.865 9.83699 8.38403 16.1608 10.3893 6.27641 7.29758 4.53931 numMergedOcc 0
43 mol 156 unq 3 iso 1 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 9.97623 5.0966 7.44554 8.38403 16.1608 10.3893 6.27641 4.53931 7.29758 numMergedOcc 0
44 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 16.944 12.865 9.83699 11.2719 16.1608 10.3893 6.27641 8.67156 4.53931 numMergedOcc 0
45 mol 156 unq 3 iso 1 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 13.465 5.75141 8.94056 11.2719 16.1608 10.3893 6.27641 4.53931 8.67156 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.6154 11.832 7.14453 9.10746 12.4978 13.4309 6.97182 6.16485 5.33565 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 13.6328 12.4611 9.65138 9.10746 12.4978 13.4309 6.97182 5.33565 6.16485 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.6154 11.832 7.14453 9.10746 11.0481 13.5787 6.1175 11.5712 5.06792 numMergedOcc 0
49 mol 214 unq 1 iso 1 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 13.6328 12.4611 9.65138 9.10746 11.0481 13.5787 6.1175 5.06792 11.5712 numMergedOcc 0
50 mol 214 unq 2 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.5105 10.644 8.85478 4.40923 12.4978 13.4309 6.97182 6.16485 8.47007 numMergedOcc 0
51 mol 214 unq 2 iso 1 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 13.6328 12.4611 9.65138 4.40923 12.4978 13.4309 6.97182 8.47007 6.16485 numMergedOcc 0
52 mol 214 unq 3 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.5105 10.644 8.85478 4.40923 11.0481 13.5787 6.1175 11.5712 12.8334 numMergedOcc 0
53 mol 214 unq 3 iso 1 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 13.6328 12.4611 9.65138 4.40923 11.0481 13.5787 6.1175 12.8334 11.5712 numMergedOcc 0
54 mol 214 unq 2 iso 0 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 11.5105 10.644 8.85478 11.3796 12.4978 13.4309 6.97182 5.33565 8.47007 numMergedOcc 0
55 mol 214 unq 2 iso 1 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 11.6154 11.832 7.14453 11.3796 12.4978 13.4309 6.97182 8.47007 5.33565 numMergedOcc 0
56 mol 214 unq 3 iso 0 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 11.5105 10.644 8.85478 11.3796 11.0481 13.5787 6.1175 5.06792 12.8334 numMergedOcc 0
57 mol 214 unq 3 iso 1 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 11.6154 11.832 7.14453 11.3796 11.0481 13.5787 6.1175 12.8334 5.06792 numMergedOcc 0
58 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 17.1012 14.6296 9.23153 13.6374 9.52692 8.24498 10.5449 15.4657 12.3402 6.84247 6.7067 6.05129 numMergedOcc 0
59 mol 220 unq 0 iso 1 dist 4.3362 9.20027 7.31105 13.6374 9.52692 8.24498 17.1012 14.6296 9.23153 10.5449 15.4657 12.3402 6.84247 6.05129 6.7067 numMergedOcc 0
60 mol 220 unq 1 iso 0 dist 4.3362 9.20027 7.31105 17.1012 14.6296 9.23153 13.6374 9.52692 8.24498 10.5449 8.57161 7.84277 6.99002 15.9568 11.1321 numMergedOcc 0
61 mol 220 unq 1 iso 1 dist 4.3362 9.20027 7.31105 13.6374 9.52692 8.24498 17.1012 14.6296 9.23153 10.5449 8.57161 7.84277 6.99002 11.1321 15.9568 numMergedOcc 0
62 mol 224 unq 0 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 12.0295 9.36962 6.60589 5.0744 10.7344 5.03449 6.65984 5.29877 6.12232 numMergedOcc 0
63 mol 224 unq 0 iso 1 dist 7.7163 10.8463 9.79616 12.0295 9.36962 6.60589 7.07564 5.63485 6.57273 5.0744 10.7344 5.03449 6.65984 6.12232 5.29877 numMergedOcc 0
64 mol 224 unq 1 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 15.8289 9.36962 6.60589 5.0744 12.5544 5.03449 6.65984 5.29877 6.12232 numMergedOcc 0
65 mol 224 unq 1 iso 1 dist 9.06201 13.0574 9.79616 15.8289 9.36962 6.60589 10.9817 5.63485 6.57273 5.0744 12.5544 5.03449 6.65984 6.12232 5.29877 numMergedOcc 0
66 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 10.291 6.6173 7.57994 12.7977 8.95486 6.18582 5.01979 9.72224 4.16447 8.83735 5.23473 7.38675 numMergedOcc 0
67 mol 249 unq 0 iso 1 dist 5.66519 8.68833 7.29898 12.7977 8.95486 6.18582 10.291 6.6173 7.57994 5.01979 9.72224 4.16447 8.83735 7.38675 5.23473 numMergedOcc 0
68 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 10.291 5.25611 7.57994 12.7977 9.66184 6.18582 5.01979 9.72224 6.74838 8.83735 5.23473 7.38675 numMergedOcc 0
69 mol 249 unq 1 iso 1 dist 6.50067 8.68833 8.91685 12.7977 9.66184 6.18582 10.291 5.25611 7.57994 5.01979 9.72224 6.74838 8.83735 7.38675 5.23473 numMergedOcc 0
70 mol 259 unq 0 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.1068 9.10984 7.84554 4.86771 20.9701 15.1483 7.48005 11.6195 11.8736 numMergedOcc 0
71 mol 259 unq 0 iso 1 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 13.8844 5.71237 7.88519 4.86771 20.9701 15.1483 7.48005 11.8736 11.6195 numMergedOcc 0
72 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.6945 11.8501 7.46176 6.96053 20.9701 15.1483 7.48005 11.6195 5.79468 numMergedOcc 0
73 mol 259 unq 1 iso 1 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 13.8844 5.71237 7.88519 6.96053 20.9701 15.1483 7.48005 5.79468 11.6195 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 22.9986 13.9868 9.18903 10.4881 20.9701 15.1483 7.48005 11.6195 12.6649 numMergedOcc 0
75 mol 259 unq 2 iso 1 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 13.8844 5.71237 7.88519 10.4881 20.9701 15.1483 7.48005 12.6649 11.6195 numMergedOcc 0
76 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 18.6945 11.8501 7.46176 7.64658 20.9701 15.1483 7.48005 11.8736 5.79468 numMergedOcc 0
77 mol 259 unq 1 iso 1 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 18.1068 9.10984 7.84554 7.64658 20.9701 15.1483 7.48005 5.79468 11.8736 numMergedOcc 0
78 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 22.9986 13.9868 9.18903 5.87173 20.9701 15.1483 7.48005 11.8736 12.6649 numMergedOcc 0
79 mol 259 unq 2 iso 1 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.1068 9.10984 7.84554 5.87173 20.9701 15.1483 7.48005 12.6649 11.8736 numMergedOcc 0
80 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 22.9986 13.9868 9.18903 10.5239 20.9701 15.1483 7.48005 5.79468 12.6649 numMergedOcc 0
81 mol 259 unq 2 iso 1 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.6945 11.8501 7.46176 10.5239 20.9701 15.1483 7.48005 12.6649 5.79468 numMergedOcc 0
82 mol 276 unq 0 iso 0 dist 7.35537 9.58401 9.05218 12.5562 5.72513 9.8993 13.4249 8.86096 6.87396 6.88557 16.3097 11.6861 8.76347 7.54851 6.4102 numMergedOcc 0
83 mol 276 unq 0 iso 1 dist 7.35537 9.58401 9.05218 13.4249 8.86096 6.87396 12.5562 5.72513 9.8993 6.88557 16.3097 11.6861 8.76347 6.4102 7.54851 numMergedOcc 0
84 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 10.161 4.58403 8.76532 10.0156 10.0695 5.41716 8.8673 10.1236 8.14825 numMergedOcc 0
85 mol 282 unq 0 iso 1 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 12.7745 9.63727 8.04483 10.0156 10.0695 5.41716 8.8673 8.14825 10.1236 numMergedOcc 0
86 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 9.83042 5.04235 6.33524 5.39891 10.0695 5.41716 8.8673 10.1236 7.36881 numMergedOcc 0
87 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 12.7745 9.63727 8.04483 5.39891 10.0695 5.41716 8.8673 7.36881 10.1236 numMergedOcc 0
88 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 9.83042 5.04235 6.33524 4.66602 10.0695 5.41716 8.8673 8.14825 7.36881 numMergedOcc 0
89 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 10.161 4.58403 8.76532 4.66602 10.0695 5.41716 8.8673 7.36881 8.14825 numMergedOcc 0
90 mol 282 unq 2 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 10.161 10.5698 8.76532 10.0156 10.0695 5.37323 8.8673 10.1236 8.14825 numMergedOcc 0
91 mol 282 unq 2 iso 1 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 12.7745 9.60898 8.04483 10.0156 10.0695 5.37323 8.8673 8.14825 10.1236 numMergedOcc 0
92 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 9.83042 8.37652 6.33524 5.39891 10.0695 5.37323 8.8673 10.1236 7.36881 numMergedOcc 0
93 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 12.7745 9.60898 8.04483 5.39891 10.0695 5.37323 8.8673 7.36881 10.1236 numMergedOcc 0
94 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 9.83042 8.37652 6.33524 4.66602 10.0695 5.37323 8.8673 8.14825 7.36881 numMergedOcc 0
95 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 10.161 10.5698 8.76532 4.66602 10.0695 5.37323 8.8673 7.36881 8.14825 numMergedOcc 0
