0 mol 7 unq 0 iso 0 dist 7.11539 5.37308 6.02702 9.17482 8.72114 11.8172 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.11539 9.17482 8.72114 5.37308 6.02702 11.8172 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.37378 6.78983 5.89412 9.50843 7.07399 11.0528 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 8.37378 9.50843 7.07399 6.78983 5.89412 11.0528 numMergedOcc 0
4 mol 15 unq 1 iso 0 dist 8.3794 6.3431 6.42748 9.85033 7.48342 11.7498 numMergedOcc 0
5 mol 15 unq 1 iso 1 dist 8.3794 9.85033 7.48342 6.3431 6.42748 11.7498 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 9.81761 4.43881 7.12365 9.17153 8.1284 5.34368 numMergedOcc 0
7 mol 30 unq 0 iso 1 dist 9.81761 9.17153 8.1284 4.43881 7.12365 5.34368 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 9.91234 8.94818 7.90294 12.4023 9.34791 14.4691 numMergedOcc 0
9 mol 65 unq 0 iso 1 dist 9.91234 12.4023 9.34791 8.94818 7.90294 14.4691 numMergedOcc 0
10 mol 65 unq 1 iso 0 dist 9.91234 8.94818 7.90294 10.2221 8.22785 10.2941 numMergedOcc 0
11 mol 65 unq 1 iso 1 dist 9.91234 10.2221 8.22785 8.94818 7.90294 10.2941 numMergedOcc 0
12 mol 65 unq 1 iso 0 dist 9.91234 12.4023 9.34791 10.2221 8.22785 5.48814 numMergedOcc 0
13 mol 65 unq 1 iso 1 dist 9.91234 10.2221 8.22785 12.4023 9.34791 5.48814 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.67564 4.04716 5.78706 8.87226 7.23884 7.51619 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 7.67564 8.87226 7.23884 4.04716 5.78706 7.51619 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 7.67564 4.04716 5.78706 13.0429 5.59328 10.6225 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 7.67564 13.0429 5.59328 4.04716 5.78706 10.6225 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.67564 4.04716 5.78706 13.699 7.5242 12.7411 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 7.67564 13.699 7.5242 4.04716 5.78706 12.7411 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 7.67564 8.87226 7.23884 13.0429 5.59328 11.4338 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 7.67564 13.0429 5.59328 8.87226 7.23884 11.4338 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 7.67564 8.87226 7.23884 13.699 7.5242 9.30161 numMergedOcc 0
23 mol 98 unq 2 iso 1 dist 7.67564 13.699 7.5242 8.87226 7.23884 9.30161 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 7.67564 13.0429 5.59328 13.699 7.5242 7.72877 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 7.67564 13.699 7.5242 13.0429 5.59328 7.72877 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 8.60103 4.75433 5.78706 10.9049 7.23884 7.51619 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 8.60103 10.9049 7.23884 4.75433 5.78706 7.51619 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 8.60103 4.75433 5.78706 11.5098 5.59328 10.6225 numMergedOcc 0
29 mol 98 unq 4 iso 1 dist 8.60103 11.5098 5.59328 4.75433 5.78706 10.6225 numMergedOcc 0
30 mol 98 unq 5 iso 0 dist 8.60103 4.75433 5.78706 15.8069 7.5242 12.7411 numMergedOcc 0
31 mol 98 unq 5 iso 1 dist 8.60103 15.8069 7.5242 4.75433 5.78706 12.7411 numMergedOcc 0
32 mol 98 unq 4 iso 0 dist 8.60103 10.9049 7.23884 11.5098 5.59328 11.4338 numMergedOcc 0
33 mol 98 unq 4 iso 1 dist 8.60103 11.5098 5.59328 10.9049 7.23884 11.4338 numMergedOcc 0
34 mol 98 unq 5 iso 0 dist 8.60103 10.9049 7.23884 15.8069 7.5242 9.30161 numMergedOcc 0
35 mol 98 unq 5 iso 1 dist 8.60103 15.8069 7.5242 10.9049 7.23884 9.30161 numMergedOcc 0
36 mol 98 unq 5 iso 0 dist 8.60103 11.5098 5.59328 15.8069 7.5242 7.72877 numMergedOcc 0
37 mol 98 unq 5 iso 1 dist 8.60103 15.8069 7.5242 11.5098 5.59328 7.72877 numMergedOcc 0
38 mol 125 unq 0 iso 0 dist 8.74577 11.9415 9.08382 15.2717 9.3778 5.20403 numMergedOcc 0
39 mol 125 unq 0 iso 1 dist 8.74577 15.2717 9.3778 11.9415 9.08382 5.20403 numMergedOcc 0
40 mol 125 unq 1 iso 0 dist 8.74577 11.9415 9.08382 9.71964 7.47069 9.34412 numMergedOcc 0
41 mol 125 unq 1 iso 1 dist 8.74577 9.71964 7.47069 11.9415 9.08382 9.34412 numMergedOcc 0
42 mol 125 unq 1 iso 0 dist 8.74577 15.2717 9.3778 9.71964 7.47069 11.8325 numMergedOcc 0
43 mol 125 unq 1 iso 1 dist 8.74577 9.71964 7.47069 15.2717 9.3778 11.8325 numMergedOcc 0
44 mol 125 unq 2 iso 0 dist 9.94322 13.0245 8.76789 15.5695 7.73435 5.20403 numMergedOcc 0
45 mol 125 unq 2 iso 1 dist 9.94322 15.5695 7.73435 13.0245 8.76789 5.20403 numMergedOcc 0
46 mol 125 unq 3 iso 0 dist 9.7728 13.0245 9.08382 15.5695 9.3778 5.20403 numMergedOcc 0
47 mol 125 unq 3 iso 1 dist 9.7728 15.5695 9.3778 13.0245 9.08382 5.20403 numMergedOcc 0
48 mol 125 unq 4 iso 0 dist 9.7728 13.0245 9.08382 13.3502 7.47069 9.34412 numMergedOcc 0
49 mol 125 unq 4 iso 1 dist 9.7728 13.3502 7.47069 13.0245 9.08382 9.34412 numMergedOcc 0
50 mol 125 unq 4 iso 0 dist 9.7728 15.5695 9.3778 13.3502 7.47069 11.8325 numMergedOcc 0
51 mol 125 unq 4 iso 1 dist 9.7728 13.3502 7.47069 15.5695 9.3778 11.8325 numMergedOcc 0
52 mol 125 unq 5 iso 0 dist 8.35871 5.14447 8.76789 6.10523 7.73435 5.20403 numMergedOcc 0
53 mol 125 unq 5 iso 1 dist 8.35871 6.10523 7.73435 5.14447 8.76789 5.20403 numMergedOcc 0
54 mol 125 unq 6 iso 0 dist 6.75122 5.14447 9.08382 6.10523 9.3778 5.20403 numMergedOcc 0
55 mol 125 unq 6 iso 1 dist 6.75122 6.10523 9.3778 5.14447 9.08382 5.20403 numMergedOcc 0
56 mol 125 unq 7 iso 0 dist 6.75122 5.14447 9.08382 5.87414 7.47069 9.34412 numMergedOcc 0
57 mol 125 unq 7 iso 1 dist 6.75122 5.87414 7.47069 5.14447 9.08382 9.34412 numMergedOcc 0
58 mol 125 unq 7 iso 0 dist 6.75122 6.10523 9.3778 5.87414 7.47069 11.8325 numMergedOcc 0
59 mol 125 unq 7 iso 1 dist 6.75122 5.87414 7.47069 6.10523 9.3778 11.8325 numMergedOcc 0
60 mol 130 unq 0 iso 0 dist 7.7461 14.5095 9.72053 10.449 7.7949 15.1532 numMergedOcc 0
61 mol 130 unq 0 iso 1 dist 7.7461 10.449 7.7949 14.5095 9.72053 15.1532 numMergedOcc 0
62 mol 141 unq 0 iso 0 dist 5.66405 13.0477 9.97343 6.64386 9.70413 11.4307 numMergedOcc 0
63 mol 141 unq 0 iso 1 dist 5.66405 6.64386 9.70413 13.0477 9.97343 11.4307 numMergedOcc 0
64 mol 171 unq 0 iso 0 dist 8.29782 4.97028 6.64834 7.69281 5.93786 4.91149 numMergedOcc 0
65 mol 171 unq 0 iso 1 dist 8.29782 7.69281 5.93786 4.97028 6.64834 4.91149 numMergedOcc 0
66 mol 171 unq 1 iso 0 dist 8.29782 4.97028 6.64834 12.3639 8.24693 11.6409 numMergedOcc 0
67 mol 171 unq 1 iso 1 dist 8.29782 12.3639 8.24693 4.97028 6.64834 11.6409 numMergedOcc 0
68 mol 171 unq 2 iso 0 dist 8.29782 4.97028 6.64834 9.82561 7.36698 5.51687 numMergedOcc 0
69 mol 171 unq 2 iso 1 dist 8.29782 9.82561 7.36698 4.97028 6.64834 5.51687 numMergedOcc 0
70 mol 171 unq 1 iso 0 dist 8.29782 7.69281 5.93786 12.3639 8.24693 7.31409 numMergedOcc 0
71 mol 171 unq 1 iso 1 dist 8.29782 12.3639 8.24693 7.69281 5.93786 7.31409 numMergedOcc 0
72 mol 171 unq 2 iso 0 dist 8.29782 7.69281 5.93786 9.82561 7.36698 8.07119 numMergedOcc 0
73 mol 171 unq 2 iso 1 dist 8.29782 9.82561 7.36698 7.69281 5.93786 8.07119 numMergedOcc 0
74 mol 171 unq 2 iso 0 dist 8.29782 12.3639 8.24693 9.82561 7.36698 14.1033 numMergedOcc 0
75 mol 171 unq 2 iso 1 dist 8.29782 9.82561 7.36698 12.3639 8.24693 14.1033 numMergedOcc 0
76 mol 171 unq 3 iso 0 dist 7.61144 10.307 8.1344 5.60928 6.71356 7.31409 numMergedOcc 0
77 mol 171 unq 3 iso 1 dist 7.61144 5.60928 6.71356 10.307 8.1344 7.31409 numMergedOcc 0
78 mol 181 unq 0 iso 0 dist 8.77781 13.9725 9.39829 5.32364 6.41453 8.85576 numMergedOcc 0
79 mol 181 unq 0 iso 1 dist 8.77781 5.32364 6.41453 13.9725 9.39829 8.85576 numMergedOcc 0
80 mol 238 unq 0 iso 0 dist 9.49129 5.65008 7.57812 14.6188 9.24557 10.0191 numMergedOcc 0
81 mol 238 unq 0 iso 1 dist 9.49129 14.6188 9.24557 5.65008 7.57812 10.0191 numMergedOcc 0
82 mol 243 unq 0 iso 0 dist 9.18477 10.2378 7.49645 7.64721 9.9222 5.37618 numMergedOcc 0
83 mol 243 unq 0 iso 1 dist 9.18477 7.64721 9.9222 10.2378 7.49645 5.37618 numMergedOcc 0
84 mol 249 unq 0 iso 0 dist 9.58168 12.8314 5.48118 11.6796 7.25858 5.3927 numMergedOcc 0
85 mol 249 unq 0 iso 1 dist 9.58168 11.6796 7.25858 12.8314 5.48118 5.3927 numMergedOcc 0
86 mol 258 unq 0 iso 0 dist 7.87648 14.0618 9.63959 6.96581 9.96262 12.4198 numMergedOcc 0
87 mol 258 unq 0 iso 1 dist 7.87648 6.96581 9.96262 14.0618 9.63959 12.4198 numMergedOcc 0
88 mol 258 unq 1 iso 0 dist 7.87648 14.0618 9.63959 5.38982 7.21311 12.321 numMergedOcc 0
89 mol 258 unq 1 iso 1 dist 7.87648 5.38982 7.21311 14.0618 9.63959 12.321 numMergedOcc 0
90 mol 258 unq 1 iso 0 dist 7.87648 6.96581 9.96262 5.38982 7.21311 10.7374 numMergedOcc 0
91 mol 258 unq 1 iso 1 dist 7.87648 5.38982 7.21311 6.96581 9.96262 10.7374 numMergedOcc 0
92 mol 273 unq 0 iso 0 dist 9.16554 4.77695 8.83865 10.3543 9.18157 5.96724 numMergedOcc 0
93 mol 273 unq 0 iso 1 dist 9.16554 10.3543 9.18157 4.77695 8.83865 5.96724 numMergedOcc 0
94 mol 273 unq 1 iso 0 dist 9.65597 15.0014 8.83865 16.3813 9.18157 5.96724 numMergedOcc 0
95 mol 273 unq 1 iso 1 dist 9.65597 16.3813 9.18157 15.0014 8.83865 5.96724 numMergedOcc 0
