0 mol 24 unq 0 iso 0 dist 7.85986 4.30252 6.0925 9.63925 8.25818 10.2171 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.0991 9.95093 4.74094 6.35031 6.38866 10.7075 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.95093 8.0991 4.74094 9.92713 9.48125 11.9917 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.7836 8.12997 11.3632 6.17529 5.54472 13.0969 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.7836 8.12997 11.3632 9.78584 8.62369 16.8952 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.7836 8.12997 11.3632 11.505 6.5241 17.8471 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 5.7836 6.13153 8.33924 6.17529 5.54472 9.93675 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 5.7836 6.13153 8.33924 9.78584 8.62369 13.7233 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 5.7836 6.13153 8.33924 11.505 6.5241 14.8399 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 5.7836 7.32996 8.83572 6.17529 5.54472 12.558 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 5.7836 7.32996 8.83572 9.78584 8.62369 15.9863 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 5.7836 7.32996 8.83572 11.505 6.5241 13.5272 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 5.7836 5.89173 10.0905 6.17529 5.54472 12.0538 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 5.7836 5.89173 10.0905 9.78584 8.62369 15.6455 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 5.7836 5.89173 10.0905 11.505 6.5241 15.8172 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 7.32996 8.12997 8.81168 13.357 8.0812 16.2577 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 7.32996 6.13153 8.88086 13.357 8.0812 16.7052 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 7.32996 5.7836 8.83572 13.357 8.0812 14.7552 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 7.32996 5.89173 4.6034 13.357 8.0812 10.7595 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 6.28603 8.80303 3.86264 3.50984 5.54472 8.62369 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 6.28603 7.11491 8.66712 3.50984 5.54472 6.5241 numMergedOcc 0
21 mol 48 unq 18 iso 0 dist 8.80303 6.28603 3.86264 3.50984 8.62369 5.54472 numMergedOcc 0
22 mol 48 unq 19 iso 0 dist 8.80303 7.11491 9.07711 3.50984 8.62369 6.5241 numMergedOcc 0
23 mol 48 unq 20 iso 0 dist 7.11491 6.28603 8.66712 11.6319 8.22812 14.8981 numMergedOcc 0
24 mol 48 unq 21 iso 0 dist 7.11491 6.28603 8.66712 5.39812 4.22002 9.83205 numMergedOcc 0
25 mol 48 unq 22 iso 0 dist 7.11491 6.28603 8.66712 8.55482 5.77855 12.8664 numMergedOcc 0
26 mol 48 unq 23 iso 0 dist 7.11491 6.28603 8.66712 3.59761 8.10774 9.84914 numMergedOcc 0
27 mol 48 unq 24 iso 0 dist 7.11491 6.28603 8.66712 3.50984 6.5241 5.54472 numMergedOcc 0
28 mol 48 unq 25 iso 0 dist 7.11491 8.80303 9.07711 11.6319 8.22812 16.5858 numMergedOcc 0
29 mol 48 unq 26 iso 0 dist 7.11491 8.80303 9.07711 5.39812 4.22002 11.444 numMergedOcc 0
30 mol 48 unq 27 iso 0 dist 7.11491 8.80303 9.07711 8.55482 5.77855 14.2734 numMergedOcc 0
31 mol 48 unq 28 iso 0 dist 7.11491 8.80303 9.07711 3.59761 8.10774 11.9942 numMergedOcc 0
32 mol 48 unq 29 iso 0 dist 7.11491 8.80303 9.07711 3.50984 6.5241 8.62369 numMergedOcc 0
33 mol 48 unq 30 iso 0 dist 5.82264 7.84895 11.4886 6.30002 5.37439 12.943 numMergedOcc 0
34 mol 48 unq 31 iso 0 dist 5.82264 7.84895 11.4886 9.72383 8.3714 16.5202 numMergedOcc 0
35 mol 48 unq 32 iso 0 dist 5.82264 7.84895 11.4886 11.5388 6.36817 17.8166 numMergedOcc 0
36 mol 48 unq 33 iso 0 dist 5.82264 5.8541 8.45701 6.30002 5.37439 9.764 numMergedOcc 0
37 mol 48 unq 34 iso 0 dist 5.82264 5.8541 8.45701 9.72383 8.3714 13.3555 numMergedOcc 0
38 mol 48 unq 35 iso 0 dist 5.82264 5.8541 8.45701 11.5388 6.36817 14.8013 numMergedOcc 0
39 mol 48 unq 36 iso 0 dist 5.82264 7.20729 8.79085 6.30002 5.37439 12.4894 numMergedOcc 0
40 mol 48 unq 37 iso 0 dist 5.82264 7.20729 8.79085 9.72383 8.3714 15.8159 numMergedOcc 0
41 mol 48 unq 38 iso 0 dist 5.82264 7.20729 8.79085 11.5388 6.36817 13.401 numMergedOcc 0
42 mol 48 unq 39 iso 0 dist 5.82264 5.72703 10.0122 6.30002 5.37439 11.9997 numMergedOcc 0
43 mol 48 unq 40 iso 0 dist 5.82264 5.72703 10.0122 9.72383 8.3714 15.433 numMergedOcc 0
44 mol 48 unq 41 iso 0 dist 5.82264 5.72703 10.0122 11.5388 6.36817 15.6646 numMergedOcc 0
45 mol 48 unq 42 iso 0 dist 7.20729 7.84895 8.75789 10.8889 8.65524 15.6593 numMergedOcc 0
46 mol 48 unq 43 iso 0 dist 7.20729 7.84895 8.75789 13.697 8.22812 16.3718 numMergedOcc 0
47 mol 48 unq 44 iso 0 dist 7.20729 5.8541 8.74768 10.8889 8.65524 15.5128 numMergedOcc 0
48 mol 48 unq 45 iso 0 dist 7.20729 5.8541 8.74768 13.697 8.22812 16.7978 numMergedOcc 0
49 mol 48 unq 46 iso 0 dist 7.20729 5.82264 8.79085 10.8889 8.65524 12.867 numMergedOcc 0
50 mol 48 unq 47 iso 0 dist 7.20729 5.82264 8.79085 13.697 8.22812 14.8527 numMergedOcc 0
51 mol 48 unq 48 iso 0 dist 7.20729 5.72703 4.52343 10.8889 8.65524 10.0937 numMergedOcc 0
52 mol 48 unq 49 iso 0 dist 7.20729 5.72703 4.52343 13.697 8.22812 11.1156 numMergedOcc 0
53 mol 48 unq 50 iso 0 dist 5.73454 8.2012 3.69391 3.65036 5.37439 8.3714 numMergedOcc 0
54 mol 48 unq 51 iso 0 dist 5.73454 7.1829 8.61401 3.65036 5.37439 6.36817 numMergedOcc 0
55 mol 48 unq 52 iso 0 dist 8.2012 5.73454 3.69391 3.65036 8.3714 5.37439 numMergedOcc 0
56 mol 48 unq 53 iso 0 dist 8.2012 7.1829 9.16142 3.65036 8.3714 6.36817 numMergedOcc 0
57 mol 48 unq 54 iso 0 dist 8.56365 7.47783 9.94041 11.2833 5.37439 14.7286 numMergedOcc 0
58 mol 48 unq 55 iso 0 dist 8.56365 7.47783 9.94041 12.3471 8.3714 16.5312 numMergedOcc 0
59 mol 48 unq 56 iso 0 dist 8.56365 7.47783 9.94041 6.34854 6.36817 8.0812 numMergedOcc 0
60 mol 48 unq 57 iso 0 dist 8.56365 8.74151 5.553 11.2833 5.37439 9.47823 numMergedOcc 0
61 mol 48 unq 58 iso 0 dist 8.56365 8.74151 5.553 12.3471 8.3714 11.095 numMergedOcc 0
62 mol 48 unq 59 iso 0 dist 8.56365 8.74151 5.553 6.34854 6.36817 4.17933 numMergedOcc 0
63 mol 48 unq 60 iso 0 dist 8.56365 8.69662 8.14415 11.2833 5.37439 12.439 numMergedOcc 0
64 mol 48 unq 61 iso 0 dist 8.56365 8.69662 8.14415 12.3471 8.3714 13.9254 numMergedOcc 0
65 mol 48 unq 62 iso 0 dist 8.56365 8.69662 8.14415 6.34854 6.36817 5.54893 numMergedOcc 0
66 mol 48 unq 63 iso 0 dist 7.47783 8.56365 9.94041 6.34854 8.0812 6.36817 numMergedOcc 0
67 mol 48 unq 64 iso 0 dist 7.47783 8.74151 6.96103 6.34854 8.0812 4.17933 numMergedOcc 0
68 mol 48 unq 65 iso 0 dist 7.47783 8.69662 4.54874 6.34854 8.0812 5.54893 numMergedOcc 0
69 mol 48 unq 66 iso 0 dist 8.74151 8.56365 5.553 6.34854 4.17933 6.36817 numMergedOcc 0
70 mol 48 unq 67 iso 0 dist 8.74151 7.47783 6.96103 6.34854 4.17933 8.0812 numMergedOcc 0
71 mol 48 unq 68 iso 0 dist 8.74151 8.69662 3.18526 6.34854 4.17933 5.54893 numMergedOcc 0
72 mol 48 unq 69 iso 0 dist 8.69662 8.56365 8.14415 6.34854 5.54893 6.36817 numMergedOcc 0
73 mol 48 unq 70 iso 0 dist 8.69662 7.47783 4.54874 6.34854 5.54893 8.0812 numMergedOcc 0
74 mol 48 unq 71 iso 0 dist 8.69662 8.74151 3.18526 6.34854 5.54893 4.17933 numMergedOcc 0
75 mol 48 unq 72 iso 0 dist 7.1829 5.73454 8.61401 3.60121 8.14245 9.29472 numMergedOcc 0
76 mol 48 unq 73 iso 0 dist 7.1829 5.73454 8.61401 3.65036 6.36817 5.37439 numMergedOcc 0
77 mol 48 unq 74 iso 0 dist 7.1829 5.73454 8.61401 11.611 8.0812 14.7286 numMergedOcc 0
78 mol 48 unq 75 iso 0 dist 7.1829 5.73454 8.61401 5.37655 4.17933 9.47823 numMergedOcc 0
79 mol 48 unq 76 iso 0 dist 7.1829 5.73454 8.61401 8.48119 5.54893 12.439 numMergedOcc 0
80 mol 48 unq 77 iso 0 dist 7.1829 8.2012 9.16142 3.60121 8.14245 11.3622 numMergedOcc 0
81 mol 48 unq 78 iso 0 dist 7.1829 8.2012 9.16142 3.65036 6.36817 8.3714 numMergedOcc 0
82 mol 48 unq 79 iso 0 dist 7.1829 8.2012 9.16142 11.611 8.0812 16.5312 numMergedOcc 0
83 mol 48 unq 80 iso 0 dist 7.1829 8.2012 9.16142 5.37655 4.17933 11.095 numMergedOcc 0
84 mol 48 unq 81 iso 0 dist 7.1829 8.2012 9.16142 8.48119 5.54893 13.9254 numMergedOcc 0
85 mol 79 unq 0 iso 0 dist 7.56495 7.63923 5.30569 6.29733 4.15789 4.808 numMergedOcc 0
86 mol 79 unq 1 iso 0 dist 7.56495 8.23095 7.28768 6.29733 4.15789 10.0957 numMergedOcc 0
87 mol 79 unq 2 iso 0 dist 8.84225 9.99805 9.19853 6.07693 4.15789 10.5782 numMergedOcc 0
88 mol 79 unq 3 iso 0 dist 8.84225 9.99805 9.19853 10.8556 4.808 11.4924 numMergedOcc 0
89 mol 79 unq 4 iso 0 dist 7.63923 7.56495 5.30569 5.41884 6.20144 9.56766 numMergedOcc 0
90 mol 79 unq 5 iso 0 dist 7.63923 7.56495 5.30569 6.29733 4.808 4.15789 numMergedOcc 0
91 mol 79 unq 6 iso 0 dist 7.63923 8.23095 8.91283 5.41884 6.20144 11.082 numMergedOcc 0
92 mol 79 unq 7 iso 0 dist 7.63923 8.23095 8.91283 6.29733 4.808 10.0957 numMergedOcc 0
93 mol 79 unq 8 iso 0 dist 7.38548 8.33791 5.63083 5.79629 6.20144 10.5441 numMergedOcc 0
94 mol 79 unq 9 iso 0 dist 7.38548 8.2992 8.44801 5.79629 6.20144 11.4924 numMergedOcc 0
95 mol 79 unq 10 iso 0 dist 7.38548 6.72546 7.13643 5.79629 6.20144 4.808 numMergedOcc 0
96 mol 79 unq 11 iso 0 dist 6.72546 8.33791 11.179 5.25584 4.15789 12.5398 numMergedOcc 0
97 mol 79 unq 12 iso 0 dist 6.72546 8.33791 11.179 5.79629 4.808 10.5441 numMergedOcc 0
98 mol 79 unq 13 iso 0 dist 6.72546 7.38548 7.13643 5.25584 4.15789 9.56766 numMergedOcc 0
99 mol 79 unq 14 iso 0 dist 6.72546 7.38548 7.13643 5.79629 4.808 6.20144 numMergedOcc 0
100 mol 79 unq 15 iso 0 dist 6.72546 8.2992 9.19853 5.25584 4.15789 10.5782 numMergedOcc 0
101 mol 79 unq 16 iso 0 dist 6.72546 8.2992 9.19853 5.79629 4.808 11.4924 numMergedOcc 0
102 mol 85 unq 0 iso 0 dist 8.04853 6.46549 8.06192 5.22259 6.67137 8.49871 numMergedOcc 0
103 mol 85 unq 1 iso 0 dist 8.04853 6.46549 8.06192 7.66499 7.04244 9.59497 numMergedOcc 0
104 mol 85 unq 2 iso 0 dist 9.13593 8.25144 2.58673 13.6534 6.67137 7.04244 numMergedOcc 0
105 mol 85 unq 3 iso 0 dist 9.13593 8.25144 2.58673 3.93938 9.78707 9.63449 numMergedOcc 0
106 mol 85 unq 4 iso 0 dist 8.25144 9.13593 2.58673 9.66391 7.07839 9.52926 numMergedOcc 0
107 mol 85 unq 5 iso 0 dist 8.25144 9.13593 2.58673 13.6534 7.04244 6.67137 numMergedOcc 0
108 mol 85 unq 6 iso 0 dist 8.25144 9.13593 2.58673 3.93938 9.63449 9.78707 numMergedOcc 0
109 mol 85 unq 7 iso 0 dist 8.25144 9.13593 2.58673 11.6517 7.91193 10.4386 numMergedOcc 0
110 mol 85 unq 8 iso 0 dist 8.25144 9.13593 2.58673 15.6454 9.09711 10.9264 numMergedOcc 0
111 mol 113 unq 0 iso 0 dist 5.35711 6.23759 7.41778 3.52111 7.02358 9.75234 numMergedOcc 0
112 mol 113 unq 1 iso 0 dist 6.23759 5.35711 7.41778 8.17309 5.31126 11.772 numMergedOcc 0
113 mol 113 unq 2 iso 0 dist 6.23759 5.35711 7.41778 9.30967 7.16619 13.2932 numMergedOcc 0
114 mol 123 unq 0 iso 0 dist 9.42762 7.30244 8.77423 4.10526 8.78115 8.03692 numMergedOcc 0
115 mol 123 unq 1 iso 0 dist 7.30244 9.42762 8.77423 7.88813 5.56127 13.5017 numMergedOcc 0
116 mol 123 unq 2 iso 0 dist 7.30244 9.42762 8.77423 4.10526 8.03692 8.78115 numMergedOcc 0
117 mol 123 unq 3 iso 0 dist 7.30244 9.42762 8.77423 12.6384 5.36214 12.1434 numMergedOcc 0
118 mol 168 unq 0 iso 0 dist 6.12453 9.87447 5.29906 8.8681 5.86767 10.293 numMergedOcc 0
119 mol 168 unq 1 iso 0 dist 6.12453 9.87447 5.29906 3.73181 5.28353 10.3204 numMergedOcc 0
120 mol 169 unq 0 iso 0 dist 5.41121 6.35799 7.75905 3.83687 6.96715 10.1862 numMergedOcc 0
121 mol 169 unq 1 iso 0 dist 7.85698 8.75484 16.4124 6.28646 5.10589 14.0788 numMergedOcc 0
122 mol 169 unq 2 iso 0 dist 6.35799 5.41121 7.75905 7.83748 5.10589 11.645 numMergedOcc 0
123 mol 214 unq 0 iso 0 dist 5.05626 8.41013 10.5332 6.28944 8.66082 7.96338 numMergedOcc 0
124 mol 214 unq 1 iso 0 dist 8.41013 5.05626 10.5332 6.28944 7.96338 8.66082 numMergedOcc 0
125 mol 214 unq 2 iso 0 dist 8.41013 5.05626 10.5332 7.23583 7.42759 10.7359 numMergedOcc 0
126 mol 253 unq 0 iso 0 dist 9.73723 9.82605 5.00013 5.68255 8.66299 10.2265 numMergedOcc 0
127 mol 260 unq 0 iso 0 dist 6.49413 6.12343 5.97214 7.28821 8.62655 11.9844 numMergedOcc 0
128 mol 260 unq 1 iso 0 dist 6.49413 4.52405 8.11213 7.28821 8.62655 9.01781 numMergedOcc 0
129 mol 260 unq 2 iso 0 dist 6.12343 6.49413 5.97214 3.60349 7.04263 9.66527 numMergedOcc 0
130 mol 260 unq 3 iso 0 dist 6.12343 4.52405 8.76827 3.60349 7.04263 6.48099 numMergedOcc 0
131 mol 260 unq 4 iso 0 dist 4.52405 6.49413 8.11213 3.60349 6.48099 9.66527 numMergedOcc 0
132 mol 260 unq 5 iso 0 dist 4.52405 6.12343 8.76827 3.60349 6.48099 7.04263 numMergedOcc 0
133 mol 281 unq 0 iso 0 dist 6.18742 6.8089 3.77058 3.78169 7.90368 9.46544 numMergedOcc 0
134 mol 281 unq 1 iso 0 dist 6.18742 6.8089 3.77058 11.7772 6.69267 6.56886 numMergedOcc 0
135 mol 281 unq 2 iso 0 dist 6.8089 6.18742 3.77058 10.3992 5.33372 8.70938 numMergedOcc 0
136 mol 281 unq 3 iso 0 dist 6.8089 6.18742 3.77058 11.7772 6.56886 6.69267 numMergedOcc 0
137 mol 285 unq 0 iso 0 dist 8.79261 9.99125 4.87372 8.78384 5.88958 7.78121 numMergedOcc 0
138 mol 285 unq 1 iso 0 dist 9.99125 8.79261 4.87372 8.78384 7.78121 5.88958 numMergedOcc 0
