0 mol 48 unq 0 iso 0 dist 5.7836 6.17529 5.54472 9.78584 8.62369 3.86264 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 5.7836 9.78584 8.62369 6.17529 5.54472 3.86264 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 5.7836 6.17529 5.54472 11.505 6.5241 8.66712 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 5.7836 11.505 6.5241 6.17529 5.54472 8.66712 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.7836 9.78584 8.62369 11.505 6.5241 9.07711 numMergedOcc 0
5 mol 48 unq 1 iso 1 dist 5.7836 11.505 6.5241 9.78584 8.62369 9.07711 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 7.11491 11.6319 8.22812 5.39812 4.22002 6.87266 numMergedOcc 0
7 mol 48 unq 2 iso 1 dist 7.11491 5.39812 4.22002 11.6319 8.22812 6.87266 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.11491 11.6319 8.22812 8.55482 5.77855 4.62605 numMergedOcc 0
9 mol 48 unq 3 iso 1 dist 7.11491 8.55482 5.77855 11.6319 8.22812 4.62605 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 7.11491 11.6319 8.22812 3.59761 8.10774 10.9047 numMergedOcc 0
11 mol 48 unq 4 iso 1 dist 7.11491 3.59761 8.10774 11.6319 8.22812 10.9047 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 7.11491 11.6319 8.22812 3.50984 6.5241 10.1674 numMergedOcc 0
13 mol 48 unq 5 iso 1 dist 7.11491 3.50984 6.5241 11.6319 8.22812 10.1674 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 7.11491 5.39812 4.22002 8.55482 5.77855 3.23184 numMergedOcc 0
15 mol 48 unq 3 iso 1 dist 7.11491 8.55482 5.77855 5.39812 4.22002 3.23184 numMergedOcc 0
16 mol 48 unq 4 iso 0 dist 7.11491 5.39812 4.22002 3.59761 8.10774 4.78728 numMergedOcc 0
17 mol 48 unq 4 iso 1 dist 7.11491 3.59761 8.10774 5.39812 4.22002 4.78728 numMergedOcc 0
18 mol 48 unq 5 iso 0 dist 7.11491 5.39812 4.22002 3.50984 6.5241 5.61785 numMergedOcc 0
19 mol 48 unq 5 iso 1 dist 7.11491 3.50984 6.5241 5.39812 4.22002 5.61785 numMergedOcc 0
20 mol 48 unq 4 iso 0 dist 7.11491 8.55482 5.77855 3.59761 8.10774 7.18912 numMergedOcc 0
21 mol 48 unq 4 iso 1 dist 7.11491 3.59761 8.10774 8.55482 5.77855 7.18912 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 7.11491 8.55482 5.77855 3.50984 6.5241 8.43495 numMergedOcc 0
23 mol 48 unq 5 iso 1 dist 7.11491 3.50984 6.5241 8.55482 5.77855 8.43495 numMergedOcc 0
24 mol 48 unq 5 iso 0 dist 7.11491 3.59761 8.10774 3.50984 6.5241 6.20957 numMergedOcc 0
25 mol 48 unq 5 iso 1 dist 7.11491 3.50984 6.5241 3.59761 8.10774 6.20957 numMergedOcc 0
26 mol 48 unq 6 iso 0 dist 5.82264 6.30002 5.37439 9.72383 8.3714 3.69391 numMergedOcc 0
27 mol 48 unq 6 iso 1 dist 5.82264 9.72383 8.3714 6.30002 5.37439 3.69391 numMergedOcc 0
28 mol 48 unq 7 iso 0 dist 5.82264 6.30002 5.37439 11.5388 6.36817 8.61401 numMergedOcc 0
29 mol 48 unq 7 iso 1 dist 5.82264 11.5388 6.36817 6.30002 5.37439 8.61401 numMergedOcc 0
30 mol 48 unq 7 iso 0 dist 5.82264 9.72383 8.3714 11.5388 6.36817 9.16142 numMergedOcc 0
31 mol 48 unq 7 iso 1 dist 5.82264 11.5388 6.36817 9.72383 8.3714 9.16142 numMergedOcc 0
32 mol 48 unq 8 iso 0 dist 7.20729 10.8889 8.65524 13.697 8.22812 5.62671 numMergedOcc 0
33 mol 48 unq 8 iso 1 dist 7.20729 13.697 8.22812 10.8889 8.65524 5.62671 numMergedOcc 0
34 mol 48 unq 9 iso 0 dist 8.56365 11.2833 5.37439 12.3471 8.3714 3.69391 numMergedOcc 0
35 mol 48 unq 9 iso 1 dist 8.56365 12.3471 8.3714 11.2833 5.37439 3.69391 numMergedOcc 0
36 mol 48 unq 10 iso 0 dist 8.56365 11.2833 5.37439 6.34854 6.36817 8.61401 numMergedOcc 0
37 mol 48 unq 10 iso 1 dist 8.56365 6.34854 6.36817 11.2833 5.37439 8.61401 numMergedOcc 0
38 mol 48 unq 10 iso 0 dist 8.56365 12.3471 8.3714 6.34854 6.36817 9.16142 numMergedOcc 0
39 mol 48 unq 10 iso 1 dist 8.56365 6.34854 6.36817 12.3471 8.3714 9.16142 numMergedOcc 0
40 mol 48 unq 11 iso 0 dist 7.1829 3.60121 8.14245 3.65036 6.36817 6.29252 numMergedOcc 0
41 mol 48 unq 11 iso 1 dist 7.1829 3.65036 6.36817 3.60121 8.14245 6.29252 numMergedOcc 0
42 mol 48 unq 12 iso 0 dist 7.1829 3.60121 8.14245 11.611 8.0812 10.8994 numMergedOcc 0
43 mol 48 unq 12 iso 1 dist 7.1829 11.611 8.0812 3.60121 8.14245 10.8994 numMergedOcc 0
44 mol 48 unq 13 iso 0 dist 7.1829 3.60121 8.14245 5.37655 4.17933 4.73799 numMergedOcc 0
45 mol 48 unq 13 iso 1 dist 7.1829 5.37655 4.17933 3.60121 8.14245 4.73799 numMergedOcc 0
46 mol 48 unq 14 iso 0 dist 7.1829 3.60121 8.14245 8.48119 5.54893 7.19576 numMergedOcc 0
47 mol 48 unq 14 iso 1 dist 7.1829 8.48119 5.54893 3.60121 8.14245 7.19576 numMergedOcc 0
48 mol 48 unq 12 iso 0 dist 7.1829 3.65036 6.36817 11.611 8.0812 9.94041 numMergedOcc 0
49 mol 48 unq 12 iso 1 dist 7.1829 11.611 8.0812 3.65036 6.36817 9.94041 numMergedOcc 0
50 mol 48 unq 13 iso 0 dist 7.1829 3.65036 6.36817 5.37655 4.17933 5.553 numMergedOcc 0
51 mol 48 unq 13 iso 1 dist 7.1829 5.37655 4.17933 3.65036 6.36817 5.553 numMergedOcc 0
52 mol 48 unq 14 iso 0 dist 7.1829 3.65036 6.36817 8.48119 5.54893 8.14415 numMergedOcc 0
53 mol 48 unq 14 iso 1 dist 7.1829 8.48119 5.54893 3.65036 6.36817 8.14415 numMergedOcc 0
54 mol 48 unq 13 iso 0 dist 7.1829 11.611 8.0812 5.37655 4.17933 6.96103 numMergedOcc 0
55 mol 48 unq 13 iso 1 dist 7.1829 5.37655 4.17933 11.611 8.0812 6.96103 numMergedOcc 0
56 mol 48 unq 14 iso 0 dist 7.1829 11.611 8.0812 8.48119 5.54893 4.54874 numMergedOcc 0
57 mol 48 unq 14 iso 1 dist 7.1829 8.48119 5.54893 11.611 8.0812 4.54874 numMergedOcc 0
58 mol 48 unq 14 iso 0 dist 7.1829 5.37655 4.17933 8.48119 5.54893 3.18526 numMergedOcc 0
59 mol 48 unq 14 iso 1 dist 7.1829 8.48119 5.54893 5.37655 4.17933 3.18526 numMergedOcc 0
60 mol 79 unq 0 iso 0 dist 8.84225 6.07693 4.15789 10.8556 4.808 5.30569 numMergedOcc 0
61 mol 79 unq 0 iso 1 dist 8.84225 10.8556 4.808 6.07693 4.15789 5.30569 numMergedOcc 0
62 mol 79 unq 1 iso 0 dist 5.79139 4.31939 6.20144 6.0298 4.808 7.13643 numMergedOcc 0
63 mol 79 unq 1 iso 1 dist 5.79139 6.0298 4.808 4.31939 6.20144 7.13643 numMergedOcc 0
64 mol 79 unq 2 iso 0 dist 7.63923 5.41884 6.20144 6.29733 4.808 7.13643 numMergedOcc 0
65 mol 79 unq 2 iso 1 dist 7.63923 6.29733 4.808 5.41884 6.20144 7.13643 numMergedOcc 0
66 mol 79 unq 3 iso 0 dist 6.72546 5.25584 4.15789 5.79629 4.808 5.30569 numMergedOcc 0
67 mol 79 unq 3 iso 1 dist 6.72546 5.79629 4.808 5.25584 4.15789 5.30569 numMergedOcc 0
68 mol 83 unq 0 iso 0 dist 8.99451 8.98065 7.50925 13.9971 6.96722 6.91034 numMergedOcc 0
69 mol 83 unq 0 iso 1 dist 8.99451 13.9971 6.96722 8.98065 7.50925 6.91034 numMergedOcc 0
70 mol 85 unq 0 iso 0 dist 8.04853 5.22259 6.67137 7.66499 7.04244 2.58673 numMergedOcc 0
71 mol 85 unq 0 iso 1 dist 8.04853 7.66499 7.04244 5.22259 6.67137 2.58673 numMergedOcc 0
72 mol 85 unq 1 iso 0 dist 9.13593 13.6534 6.67137 3.93938 9.78707 15.509 numMergedOcc 0
73 mol 85 unq 1 iso 1 dist 9.13593 3.93938 9.78707 13.6534 6.67137 15.509 numMergedOcc 0
74 mol 85 unq 2 iso 0 dist 8.25144 11.6517 7.91193 9.66391 7.07839 3.24037 numMergedOcc 0
75 mol 85 unq 2 iso 1 dist 8.25144 9.66391 7.07839 11.6517 7.91193 3.24037 numMergedOcc 0
76 mol 85 unq 3 iso 0 dist 8.25144 11.6517 7.91193 13.6534 7.04244 11.3346 numMergedOcc 0
77 mol 85 unq 3 iso 1 dist 8.25144 13.6534 7.04244 11.6517 7.91193 11.3346 numMergedOcc 0
78 mol 85 unq 4 iso 0 dist 8.25144 11.6517 7.91193 3.93938 9.63449 14.2704 numMergedOcc 0
79 mol 85 unq 4 iso 1 dist 8.25144 3.93938 9.63449 11.6517 7.91193 14.2704 numMergedOcc 0
80 mol 85 unq 5 iso 0 dist 8.25144 11.6517 7.91193 15.6454 9.09711 5.44737 numMergedOcc 0
81 mol 85 unq 5 iso 1 dist 8.25144 15.6454 9.09711 11.6517 7.91193 5.44737 numMergedOcc 0
82 mol 85 unq 3 iso 0 dist 8.25144 9.66391 7.07839 13.6534 7.04244 10.1082 numMergedOcc 0
83 mol 85 unq 3 iso 1 dist 8.25144 13.6534 7.04244 9.66391 7.07839 10.1082 numMergedOcc 0
84 mol 85 unq 4 iso 0 dist 8.25144 9.66391 7.07839 3.93938 9.63449 12.8332 numMergedOcc 0
85 mol 85 unq 4 iso 1 dist 8.25144 3.93938 9.63449 9.66391 7.07839 12.8332 numMergedOcc 0
86 mol 85 unq 5 iso 0 dist 8.25144 9.66391 7.07839 15.6454 9.09711 7.6242 numMergedOcc 0
87 mol 85 unq 5 iso 1 dist 8.25144 15.6454 9.09711 9.66391 7.07839 7.6242 numMergedOcc 0
88 mol 85 unq 4 iso 0 dist 8.25144 13.6534 7.04244 3.93938 9.63449 15.509 numMergedOcc 0
89 mol 85 unq 4 iso 1 dist 8.25144 3.93938 9.63449 13.6534 7.04244 15.509 numMergedOcc 0
90 mol 85 unq 5 iso 0 dist 8.25144 13.6534 7.04244 15.6454 9.09711 10.1757 numMergedOcc 0
91 mol 85 unq 5 iso 1 dist 8.25144 15.6454 9.09711 13.6534 7.04244 10.1757 numMergedOcc 0
92 mol 85 unq 5 iso 0 dist 8.25144 3.93938 9.63449 15.6454 9.09711 17.7038 numMergedOcc 0
93 mol 85 unq 5 iso 1 dist 8.25144 15.6454 9.09711 3.93938 9.63449 17.7038 numMergedOcc 0
94 mol 93 unq 0 iso 0 dist 5.56839 5.01255 5.20429 9.11323 8.71366 9.47916 numMergedOcc 0
95 mol 93 unq 0 iso 1 dist 5.56839 9.11323 8.71366 5.01255 5.20429 9.47916 numMergedOcc 0
96 mol 93 unq 1 iso 0 dist 7.83506 8.98901 5.20429 8.52329 8.71366 9.47916 numMergedOcc 0
97 mol 93 unq 1 iso 1 dist 7.83506 8.52329 8.71366 8.98901 5.20429 9.47916 numMergedOcc 0
98 mol 109 unq 0 iso 0 dist 5.54226 5.5693 9.51764 11.1265 9.29327 10.241 numMergedOcc 0
99 mol 109 unq 0 iso 1 dist 5.54226 11.1265 9.29327 5.5693 9.51764 10.241 numMergedOcc 0
100 mol 111 unq 0 iso 0 dist 9.72371 8.83426 4.91212 16.815 9.34782 8.72808 numMergedOcc 0
101 mol 111 unq 0 iso 1 dist 9.72371 16.815 9.34782 8.83426 4.91212 8.72808 numMergedOcc 0
102 mol 113 unq 0 iso 0 dist 7.40338 6.29259 5.31126 7.08122 7.16619 2.75715 numMergedOcc 0
103 mol 113 unq 0 iso 1 dist 7.40338 7.08122 7.16619 6.29259 5.31126 2.75715 numMergedOcc 0
104 mol 113 unq 1 iso 0 dist 6.23759 8.17309 5.31126 9.30967 7.16619 2.75715 numMergedOcc 0
105 mol 113 unq 1 iso 1 dist 6.23759 9.30967 7.16619 8.17309 5.31126 2.75715 numMergedOcc 0
106 mol 123 unq 0 iso 0 dist 7.30244 7.88813 5.56127 4.10526 8.03692 10.2185 numMergedOcc 0
107 mol 123 unq 0 iso 1 dist 7.30244 4.10526 8.03692 7.88813 5.56127 10.2185 numMergedOcc 0
108 mol 123 unq 1 iso 0 dist 7.30244 7.88813 5.56127 12.6384 5.36214 8.29136 numMergedOcc 0
109 mol 123 unq 1 iso 1 dist 7.30244 12.6384 5.36214 7.88813 5.56127 8.29136 numMergedOcc 0
110 mol 123 unq 1 iso 0 dist 7.30244 4.10526 8.03692 12.6384 5.36214 13.0033 numMergedOcc 0
111 mol 123 unq 1 iso 1 dist 7.30244 12.6384 5.36214 4.10526 8.03692 13.0033 numMergedOcc 0
112 mol 168 unq 0 iso 0 dist 6.12453 8.8681 5.86767 3.73181 5.28353 6.37254 numMergedOcc 0
113 mol 168 unq 0 iso 1 dist 6.12453 3.73181 5.28353 8.8681 5.86767 6.37254 numMergedOcc 0
114 mol 169 unq 0 iso 0 dist 9.84538 14.1141 5.10589 13.1539 4.63336 5.23644 numMergedOcc 0
115 mol 169 unq 0 iso 1 dist 9.84538 13.1539 4.63336 14.1141 5.10589 5.23644 numMergedOcc 0
116 mol 169 unq 1 iso 0 dist 9.84538 14.1141 5.10589 11.6489 6.10715 7.52063 numMergedOcc 0
117 mol 169 unq 1 iso 1 dist 9.84538 11.6489 6.10715 14.1141 5.10589 7.52063 numMergedOcc 0
118 mol 169 unq 1 iso 0 dist 9.84538 13.1539 4.63336 11.6489 6.10715 3.74306 numMergedOcc 0
119 mol 169 unq 1 iso 1 dist 9.84538 11.6489 6.10715 13.1539 4.63336 3.74306 numMergedOcc 0
120 mol 186 unq 0 iso 0 dist 9.31569 9.73374 7.25595 7.47658 9.94825 12.8007 numMergedOcc 0
121 mol 186 unq 0 iso 1 dist 9.31569 7.47658 9.94825 9.73374 7.25595 12.8007 numMergedOcc 0
122 mol 186 unq 1 iso 0 dist 8.72743 14.2269 7.25595 9.76301 9.94825 12.8007 numMergedOcc 0
123 mol 186 unq 1 iso 1 dist 8.72743 9.76301 9.94825 14.2269 7.25595 12.8007 numMergedOcc 0
124 mol 193 unq 0 iso 0 dist 9.9042 11.1328 8.30069 11.6691 8.83551 4.75086 numMergedOcc 0
125 mol 193 unq 0 iso 1 dist 9.9042 11.6691 8.83551 11.1328 8.30069 4.75086 numMergedOcc 0
126 mol 193 unq 1 iso 0 dist 6.21262 11.4882 8.30069 9.7301 8.83551 4.75086 numMergedOcc 0
127 mol 193 unq 1 iso 1 dist 6.21262 9.7301 8.83551 11.4882 8.30069 4.75086 numMergedOcc 0
128 mol 194 unq 0 iso 0 dist 8.43182 3.7326 5.10542 7.29209 4.68722 3.78714 numMergedOcc 0
129 mol 194 unq 0 iso 1 dist 8.43182 7.29209 4.68722 3.7326 5.10542 3.78714 numMergedOcc 0
130 mol 214 unq 0 iso 0 dist 8.41013 6.28944 7.96338 7.23583 7.42759 2.86233 numMergedOcc 0
131 mol 214 unq 0 iso 1 dist 8.41013 7.23583 7.42759 6.28944 7.96338 2.86233 numMergedOcc 0
132 mol 254 unq 0 iso 0 dist 9.31434 11.0708 7.85841 13.4911 9.20109 3.15539 numMergedOcc 0
133 mol 254 unq 0 iso 1 dist 9.31434 13.4911 9.20109 11.0708 7.85841 3.15539 numMergedOcc 0
134 mol 281 unq 0 iso 0 dist 6.18742 3.78169 7.90368 11.7772 6.69267 12.7734 numMergedOcc 0
135 mol 281 unq 0 iso 1 dist 6.18742 11.7772 6.69267 3.78169 7.90368 12.7734 numMergedOcc 0
136 mol 281 unq 1 iso 0 dist 6.8089 10.3992 5.33372 11.7772 6.56886 10.2487 numMergedOcc 0
137 mol 281 unq 1 iso 1 dist 6.8089 11.7772 6.56886 10.3992 5.33372 10.2487 numMergedOcc 0
