0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 20.1368 10.789 7.31201 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.05346 6.2983 7.03948 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 9.05346 6.2983 5.47769 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 13.4756 8.43188 7.685 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 13.4756 10.3635 7.685 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.1125 11.887 9.16962 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 9.97117 7.23546 6.73162 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.61766 4.71384 7.06308 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 9.61766 4.71384 6.34173 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 11.074 10.2241 9.58673 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 11.074 7.05413 9.58673 numMergedOcc 0
13 mol 59 unq 0 iso 0 dist 8.05508 5.34079 6.85766 11.5407 7.29033 6.71911 numMergedOcc 0
14 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 10.6421 5.3525 8.24062 numMergedOcc 0
15 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 12.9951 5.83489 8.76003 numMergedOcc 0
16 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 12.9951 7.39396 8.76003 numMergedOcc 0
17 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 11.0903 7.39396 8.76003 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 14.6315 11.6116 9.47876 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 14.6315 11.6116 7.22293 numMergedOcc 0
20 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 16.3169 6.95868 9.2603 numMergedOcc 0
21 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 5.82918 6.95868 9.2603 numMergedOcc 0
22 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 5.82918 6.97239 9.2603 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 9.44713 4.1386 7.35754 10.573 4.77056 7.52743 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.8125 11.3902 8.66155 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 13.1716 10.9739 7.76729 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 14.0848 11.7126 6.99777 numMergedOcc 0
27 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 9.26862 4.62962 9.14376 numMergedOcc 0
28 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 9.44544 4.61908 9.66954 numMergedOcc 0
29 mol 115 unq 5 iso 0 dist 4.98864 6.59772 6.11741 12.7883 10.8939 7.64585 numMergedOcc 0
30 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 9.44544 4.61908 8.66155 numMergedOcc 0
31 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 12.2966 4.61908 9.66954 numMergedOcc 0
32 mol 115 unq 8 iso 0 dist 7.95871 4.86477 6.11741 10.1292 10.8939 7.64585 numMergedOcc 0
33 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 12.2966 4.61908 8.66155 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 9.58171 4.91401 6.62561 numMergedOcc 0
35 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 9.58171 4.91401 7.63616 numMergedOcc 0
36 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 13.2996 4.91401 6.62561 numMergedOcc 0
37 mol 117 unq 3 iso 0 dist 8.90977 10.6616 7.83136 13.2996 4.91401 7.63616 numMergedOcc 0
38 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 12.0315 9.35964 9.80862 numMergedOcc 0
39 mol 119 unq 1 iso 0 dist 6.18763 5.3154 6.18601 10.2497 10.3457 8.43904 numMergedOcc 0
40 mol 119 unq 2 iso 0 dist 8.44385 12.1192 9.87172 16.7922 11.7228 9.38288 numMergedOcc 0
41 mol 119 unq 3 iso 0 dist 8.44385 12.1192 9.87172 10.2497 6.35763 6.19042 numMergedOcc 0
42 mol 119 unq 4 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 numMergedOcc 0
43 mol 119 unq 5 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 numMergedOcc 0
44 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 numMergedOcc 0
45 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 13.306 13.1312 7.34519 numMergedOcc 0
46 mol 131 unq 0 iso 0 dist 6.31125 4.29914 7.12972 9.90096 6.19596 8.6243 numMergedOcc 0
47 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 9.90096 6.19596 6.91348 numMergedOcc 0
48 mol 131 unq 2 iso 0 dist 6.31125 5.59449 6.85062 10.3644 6.6499 9.51418 numMergedOcc 0
49 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 10.9124 9.92344 6.03703 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 numMergedOcc 0
51 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 numMergedOcc 0
52 mol 155 unq 0 iso 0 dist 6.7973 5.01118 6.23493 9.16944 4.9093 9.17284 numMergedOcc 0
53 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 9.19849 6.58937 8.62646 numMergedOcc 0
54 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.17129 6.7991 4.93785 numMergedOcc 0
55 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 14.2389 4.80231 6.93764 numMergedOcc 0
56 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 14.1636 5.71262 8.36822 numMergedOcc 0
57 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 11.3587 6.67959 7.46831 numMergedOcc 0
58 mol 214 unq 1 iso 0 dist 5.36829 12.3481 8.85478 10.5513 6.67959 7.46831 numMergedOcc 0
59 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 7.35476 12.2813 6.82208 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 14.5909 9.36098 7.06793 numMergedOcc 0
61 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 11.3096 5.29877 6.67585 numMergedOcc 0
62 mol 224 unq 2 iso 0 dist 8.39002 5.72088 6.57273 11.3096 5.29877 6.65984 numMergedOcc 0
63 mol 224 unq 3 iso 0 dist 8.46129 5.72088 6.60589 11.3096 6.12232 6.65984 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 numMergedOcc 0
65 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 8.19915 4.65302 8.21247 numMergedOcc 0
66 mol 235 unq 1 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 numMergedOcc 0
67 mol 235 unq 2 iso 0 dist 7.08539 7.38431 5.4638 10.8124 4.65302 8.21247 numMergedOcc 0
68 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 10.3034 11.3552 7.17676 numMergedOcc 0
69 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 8.71945 11.6837 6.68463 numMergedOcc 0
70 mol 236 unq 2 iso 0 dist 9.89665 11.247 7.68742 10.3034 11.3552 5.34718 numMergedOcc 0
71 mol 236 unq 3 iso 0 dist 9.05929 4.38595 8.35971 10.3034 6.40312 7.17676 numMergedOcc 0
72 mol 236 unq 4 iso 0 dist 9.05929 4.38595 8.35971 8.71945 6.2568 6.68463 numMergedOcc 0
73 mol 236 unq 5 iso 0 dist 5.66569 11.2013 9.99038 6.98151 6.04825 7.17676 numMergedOcc 0
74 mol 236 unq 6 iso 0 dist 5.66569 11.2013 9.99038 12.9923 8.8265 6.68463 numMergedOcc 0
75 mol 236 unq 7 iso 0 dist 5.66569 4.15973 6.27581 6.98151 6.04825 5.34718 numMergedOcc 0
76 mol 236 unq 8 iso 0 dist 6.11137 15.1664 9.99038 9.91572 6.04825 7.17676 numMergedOcc 0
77 mol 236 unq 9 iso 0 dist 6.11137 15.1664 9.99038 14.8319 8.8265 6.68463 numMergedOcc 0
78 mol 236 unq 10 iso 0 dist 6.11137 9.01197 6.27581 9.91572 6.04825 5.34718 numMergedOcc 0
79 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 8.81534 6.20606 5.38637 numMergedOcc 0
80 mol 238 unq 1 iso 0 dist 9.13537 10.3859 6.57393 17.1186 10.9761 6.91569 numMergedOcc 0
81 mol 238 unq 2 iso 0 dist 9.94315 12.521 5.72887 12.9182 13.069 9.29858 numMergedOcc 0
82 mol 238 unq 3 iso 0 dist 8.59074 9.18011 5.72887 9.77231 13.069 9.29858 numMergedOcc 0
83 mol 238 unq 4 iso 0 dist 6.2365 4.7157 5.72887 10.2583 13.069 9.29858 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 numMergedOcc 0
85 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 numMergedOcc 0
86 mol 259 unq 2 iso 0 dist 9.12507 5.59901 5.30224 10.5745 4.99891 6.77938 numMergedOcc 0
87 mol 259 unq 3 iso 0 dist 9.12507 5.59901 5.30224 8.46351 5.32839 7.76676 numMergedOcc 0
88 mol 259 unq 4 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 numMergedOcc 0
89 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 10.4678 7.49174 7.47164 numMergedOcc 0
90 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 10.4678 5.22253 7.47164 numMergedOcc 0
91 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 11.0809 5.12409 9.0012 numMergedOcc 0
92 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 11.1852 9.67998 9.5784 numMergedOcc 0
93 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 11.6311 6.64985 7.67853 numMergedOcc 0
94 mol 294 unq 0 iso 0 dist 7.98617 10.2761 8.15665 11.886 6.17102 9.03492 numMergedOcc 0
