0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 9.59856 5.45161 6.31718 6.92781 5.66529 5.77753 6.2983 7.03948 5.47769 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 11.8413 5.38671 5.05803 6.92781 5.66529 5.77753 6.2983 5.47769 7.03948 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 8.124 5.2774 6.19304 5.4148 10.0721 6.4154 7.41074 8.70133 4.65521 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 19.5696 13.9156 8.70481 14.9342 10.0721 6.4154 7.41074 8.70133 15.9587 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 10.1112 10.4716 9.96396 5.4148 10.0721 6.4154 7.41074 4.65521 8.70133 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 19.5696 13.9156 8.70481 13.3558 10.0721 6.4154 7.41074 4.65521 15.9587 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 8.124 5.44275 6.19304 5.4148 10.0721 9.51458 7.41074 8.70133 4.65521 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 19.5696 11.2674 8.70481 14.9342 10.0721 9.51458 7.41074 8.70133 15.9587 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 10.1112 8.31041 9.96396 5.4148 10.0721 9.51458 7.41074 4.65521 8.70133 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 19.5696 11.2674 8.70481 13.3558 10.0721 9.51458 7.41074 4.65521 15.9587 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 10.9082 5.44275 6.19304 5.4148 15.2122 9.51458 7.41074 8.70133 4.65521 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 8.16299 11.2674 8.70481 14.9342 15.2122 9.51458 7.41074 8.70133 15.9587 numMergedOcc 0
12 mol 73 unq 10 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 11.0108 8.31041 9.96396 5.4148 15.2122 9.51458 7.41074 4.65521 8.70133 numMergedOcc 0
13 mol 73 unq 11 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 8.16299 11.2674 8.70481 13.3558 15.2122 9.51458 7.41074 4.65521 15.9587 numMergedOcc 0
14 mol 73 unq 12 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 11.801 5.2774 6.19304 5.4148 13.2987 6.4154 7.41074 8.70133 4.65521 numMergedOcc 0
15 mol 73 unq 13 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 12.2721 13.9156 8.70481 14.9342 13.2987 6.4154 7.41074 8.70133 15.9587 numMergedOcc 0
16 mol 73 unq 14 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 16.3948 10.4716 9.96396 5.4148 13.2987 6.4154 7.41074 4.65521 8.70133 numMergedOcc 0
17 mol 73 unq 15 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 12.2721 13.9156 8.70481 13.3558 13.2987 6.4154 7.41074 4.65521 15.9587 numMergedOcc 0
18 mol 73 unq 16 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 11.801 5.44275 6.19304 5.4148 13.2987 9.51458 7.41074 8.70133 4.65521 numMergedOcc 0
19 mol 73 unq 17 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 12.2721 11.2674 8.70481 14.9342 13.2987 9.51458 7.41074 8.70133 15.9587 numMergedOcc 0
20 mol 73 unq 18 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 16.3948 8.31041 9.96396 5.4148 13.2987 9.51458 7.41074 4.65521 8.70133 numMergedOcc 0
21 mol 73 unq 19 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 12.2721 11.2674 8.70481 13.3558 13.2987 9.51458 7.41074 4.65521 15.9587 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 11.0698 14.2649 7.83136 7.22206 5.70073 12.907 4.91401 6.62561 7.63616 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 10.5123 9.53886 7.0603 9.3584 5.70073 12.907 4.91401 6.62561 10.6107 numMergedOcc 0
24 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 7.0318 10.4589 7.90328 7.22206 5.70073 12.907 4.91401 7.63616 6.62561 numMergedOcc 0
25 mol 117 unq 3 iso 0 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 10.5123 9.53886 7.0603 7.21564 5.70073 12.907 4.91401 7.63616 10.6107 numMergedOcc 0
26 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 11.9162 11.6317 6.29785 9.36805 13.1853 numMergedOcc 0
27 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 11.9162 11.6317 6.29785 9.36805 7.55203 numMergedOcc 0
28 mol 156 unq 2 iso 0 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 9.19499 5.0966 7.44554 8.38403 11.9162 11.6317 6.29785 7.55203 9.36805 numMergedOcc 0
29 mol 156 unq 3 iso 0 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 7.11647 5.75141 8.94056 11.2719 11.9162 11.6317 6.29785 7.55203 13.1853 numMergedOcc 0
30 mol 156 unq 4 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 13.465 5.75141 8.94056 5.56175 14.0632 11.6317 6.29785 9.36805 13.1853 numMergedOcc 0
31 mol 156 unq 5 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 16.944 12.865 9.83699 8.38403 14.0632 11.6317 6.29785 9.36805 7.55203 numMergedOcc 0
32 mol 156 unq 6 iso 0 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 9.97623 5.0966 7.44554 8.38403 14.0632 11.6317 6.29785 7.55203 9.36805 numMergedOcc 0
33 mol 156 unq 7 iso 0 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 13.465 5.75141 8.94056 11.2719 14.0632 11.6317 6.29785 7.55203 13.1853 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 13.6328 12.4611 9.65138 4.40923 5.24956 6.35728 6.67959 7.46831 10.852 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 11.6154 11.832 7.14453 11.3796 5.24956 6.35728 6.67959 7.46831 12.6888 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 8.7419 8.81265 6.00706 6.8425 4.78647 5.04916 7.61682 7.18956 10.8957 numMergedOcc 0
37 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 4.92261 8.60781 7.12232 6.87664 10.8259 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 12.0295 7.18448 9.16166 5.0744 4.92261 11.0076 5.3621 6.87664 10.8259 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 9.11052 6.38066 5.81334 5.60236 4.92261 11.0076 5.3621 6.87664 10.2775 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 15.8289 9.36962 6.60589 5.0744 6.78064 8.60781 7.12232 6.87664 10.8259 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 10.2228 8.34104 6.43754 8.17891 12.4085 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 10.2228 8.34104 6.43754 8.17891 6.95902 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 10.2228 8.34104 6.43754 8.17891 11.004 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 10.2228 8.34104 6.43754 8.17891 12.8864 numMergedOcc 0
45 mol 227 unq 4 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 18.3925 13.6158 14.6185 9.62609 17.0949 numMergedOcc 0
46 mol 227 unq 5 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 10.2228 8.34104 6.43754 6.95902 12.4085 numMergedOcc 0
47 mol 227 unq 6 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 18.3925 13.6158 14.6185 9.62609 13.4493 numMergedOcc 0
48 mol 227 unq 7 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 10.2228 8.34104 6.43754 6.95902 8.17891 numMergedOcc 0
49 mol 227 unq 8 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 18.3925 13.6158 14.6185 9.62609 16.5207 numMergedOcc 0
50 mol 227 unq 9 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 10.2228 8.34104 6.43754 6.95902 11.004 numMergedOcc 0
51 mol 227 unq 10 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 18.3925 13.6158 14.6185 9.62609 19.8174 numMergedOcc 0
52 mol 227 unq 11 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 10.2228 8.34104 6.43754 6.95902 12.8864 numMergedOcc 0
53 mol 227 unq 12 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1483 16.2594 9.34734 9.51866 10.1071 17.5201 11.662 8.83563 14.4583 numMergedOcc 0
54 mol 227 unq 13 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 12.9898 14.9329 7.22101 12.4689 10.1071 17.5201 11.662 8.83563 15.9414 numMergedOcc 0
55 mol 227 unq 14 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1659 13.2783 8.65997 12.9332 10.1071 17.5201 11.662 8.83563 18.8667 numMergedOcc 0
56 mol 227 unq 15 iso 0 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 9.8971 10.6504 7.56888 4.48529 10.1071 17.5201 11.662 8.83563 12.9801 numMergedOcc 0
57 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 15.1557 12.5855 9.2288 8.41807 13.5005 13.899 9.37715 7.66365 10.165 numMergedOcc 0
58 mol 252 unq 1 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 13.0796 5.26867 7.19638 14.9102 13.5005 13.899 9.37715 7.66365 14.7097 numMergedOcc 0
59 mol 252 unq 2 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 19.2417 12.5855 9.2288 8.41807 15.0448 13.899 9.37715 7.66365 10.165 numMergedOcc 0
60 mol 252 unq 3 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 13.4304 5.26867 7.19638 14.9102 15.0448 13.899 9.37715 7.66365 14.7097 numMergedOcc 0
61 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 12.1604 10.7962 7.56915 6.33073 6.13137 5.12523 6.8406 7.97444 11.5594 numMergedOcc 0
62 mol 274 unq 1 iso 0 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 12.2117 10.7962 7.56915 6.33073 5.06306 5.12523 6.8406 7.97444 11.5594 numMergedOcc 0
63 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 10.4249 10.0733 6.3384 6.85028 10.4802 numMergedOcc 0
64 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 10.4249 10.0733 6.3384 6.85028 7.32347 numMergedOcc 0
65 mol 282 unq 2 iso 0 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 12.7745 9.63727 8.04483 5.39891 10.4249 10.0733 6.3384 7.32347 6.85028 numMergedOcc 0
66 mol 282 unq 3 iso 0 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 10.161 4.58403 8.76532 4.66602 10.4249 10.0733 6.3384 7.32347 10.4802 numMergedOcc 0
67 mol 282 unq 4 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 10.161 10.5698 8.76532 10.0156 10.4249 11.4393 6.3384 6.85028 10.4802 numMergedOcc 0
68 mol 282 unq 5 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 9.83042 8.37652 6.33524 5.39891 10.4249 11.4393 6.3384 6.85028 7.32347 numMergedOcc 0
69 mol 282 unq 6 iso 0 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 12.7745 9.60898 8.04483 5.39891 10.4249 11.4393 6.3384 7.32347 6.85028 numMergedOcc 0
70 mol 282 unq 7 iso 0 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 10.161 10.5698 8.76532 4.66602 10.4249 11.4393 6.3384 7.32347 10.4802 numMergedOcc 0
