0 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 9.91301 8.4069 9.62879 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.91301 8.25051 9.62879 7.46102 8.4069 8.96553 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 8.8641 6.92781 5.05803 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.76968 12.1754 7.63133 13.862 5.32694 5.46498 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 9.76968 12.1754 7.63133 19.1237 10.4155 8.71745 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 6.36377 5.48395 6.31718 12.9591 10.8455 7.63133 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 14.4535 10.0952 6.86014 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 10.5993 4.33106 7.57578 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 9.87281 6.17631 7.31767 7.63928 4.51512 6.03987 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 7.63928 6.17631 6.03987 9.87281 4.51512 7.31767 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 13.3732 5.06502 5.73819 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.9363 6.45462 8.93915 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 14.4598 8.81358 7.58835 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 9.01612 5.30792 6.86465 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 6.36193 5.40367 6.62496 4.88613 4.81926 6.35756 numMergedOcc 0
15 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 9.01612 5.35073 6.86465 numMergedOcc 0
16 mol 58 unq 3 iso 0 dist 4.88613 5.40367 6.35756 6.36193 4.81926 6.62496 numMergedOcc 0
17 mol 59 unq 0 iso 0 dist 8.05508 5.34079 6.85766 12.5028 10.0246 7.71095 numMergedOcc 0
18 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 19.1673 12.5396 8.84665 numMergedOcc 0
19 mol 59 unq 2 iso 0 dist 6.65344 13.1729 7.71095 14.3301 8.19458 8.25513 numMergedOcc 0
20 mol 59 unq 3 iso 0 dist 7.7978 6.8958 7.17396 10.3954 6.05545 9.21998 numMergedOcc 0
21 mol 59 unq 4 iso 0 dist 9.55751 5.85228 7.17396 10.7234 6.05545 9.21998 numMergedOcc 0
22 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 7.52103 6.86346 6.72123 numMergedOcc 0
23 mol 61 unq 1 iso 0 dist 7.52103 6.16737 6.72123 9.22002 6.86346 6.65721 numMergedOcc 0
24 mol 61 unq 2 iso 0 dist 8.46556 4.90701 6.72123 11.0419 6.86346 6.65721 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 11.0671 5.4148 9.96396 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 13.2599 13.3558 8.70481 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 10.7244 5.42586 7.97049 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 10.7244 5.42586 7.47541 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 11.7434 10.1164 5.73196 numMergedOcc 0
30 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 11.4004 5.57085 8.31336 numMergedOcc 0
31 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 7.86537 5.57085 8.31336 numMergedOcc 0
32 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 7.74197 5.57085 9.36773 numMergedOcc 0
33 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 12.5791 16.6055 9.03572 numMergedOcc 0
34 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 13.9545 13.8105 8.83255 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 numMergedOcc 0
37 mol 115 unq 2 iso 0 dist 5.02717 6.75472 5.83991 12.5189 7.69052 9.33865 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 12.5189 7.69052 6.11741 numMergedOcc 0
39 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 12.6493 8.02349 9.33865 numMergedOcc 0
40 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 numMergedOcc 0
41 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 numMergedOcc 0
42 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 13.7044 8.02349 9.33865 numMergedOcc 0
43 mol 115 unq 8 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 numMergedOcc 0
44 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 numMergedOcc 0
45 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 18.7881 13.1058 9.84395 numMergedOcc 0
46 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 20.7361 13.1058 9.84395 numMergedOcc 0
47 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 10.0998 7.30196 8.14887 numMergedOcc 0
48 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 12.3446 4.61027 8.53613 numMergedOcc 0
49 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 15.7871 10.7062 8.40312 numMergedOcc 0
50 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 10.4432 6.63273 7.12972 numMergedOcc 0
51 mol 133 unq 0 iso 0 dist 9.3894 13.0836 9.52634 10.2159 6.69554 9.91388 numMergedOcc 0
52 mol 133 unq 1 iso 0 dist 9.3894 13.0836 9.52634 14.8299 7.6656 7.24514 numMergedOcc 0
53 mol 133 unq 2 iso 0 dist 9.50322 5.37072 7.11802 5.82404 8.18495 8.00618 numMergedOcc 0
54 mol 133 unq 3 iso 0 dist 5.82404 5.37072 8.00618 9.50322 8.18495 7.11802 numMergedOcc 0
55 mol 133 unq 4 iso 0 dist 5.86531 9.73435 8.00618 15.5083 11.965 6.29155 numMergedOcc 0
56 mol 133 unq 5 iso 0 dist 5.86531 9.73435 8.00618 11.5178 7.79672 6.80239 numMergedOcc 0
57 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 9.60411 5.49782 6.37586 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 14.0674 8.80819 6.49416 numMergedOcc 0
59 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 9.60411 5.49782 9.71307 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 9.92932 5.49782 8.94367 numMergedOcc 0
61 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 14.0674 5.00817 6.49416 numMergedOcc 0
62 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 9.92932 5.49782 9.86662 numMergedOcc 0
63 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 12.1043 5.49782 6.37586 numMergedOcc 0
64 mol 134 unq 7 iso 0 dist 9.55556 11.9294 8.94367 16.0579 8.80819 6.49416 numMergedOcc 0
65 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 12.1043 5.49782 9.71307 numMergedOcc 0
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67 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.6103 6.4896 8.67331 numMergedOcc 0
68 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 13.1529 5.42328 8.87437 numMergedOcc 0
69 mol 152 unq 3 iso 0 dist 8.07256 8.36099 7.16148 12.6103 6.4896 8.05741 numMergedOcc 0
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72 mol 205 unq 1 iso 0 dist 5.4913 6.8901 7.45763 13.3164 11.8283 9.61492 numMergedOcc 0
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81 mol 224 unq 4 iso 0 dist 8.46129 6.51315 9.16166 8.39002 5.0744 5.78342 numMergedOcc 0
82 mol 224 unq 5 iso 0 dist 8.46129 6.51315 9.16166 9.2053 6.91102 5.81334 numMergedOcc 0
83 mol 224 unq 6 iso 0 dist 9.2053 6.51315 5.81334 8.39002 5.60236 5.78342 numMergedOcc 0
84 mol 224 unq 7 iso 0 dist 9.2053 6.51315 5.81334 8.46129 6.91102 9.16166 numMergedOcc 0
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89 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 12.3151 5.88703 9.36357 numMergedOcc 0
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91 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 14.0991 11.3368 9.99038 numMergedOcc 0
92 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 11.8422 11.8739 9.78037 numMergedOcc 0
93 mol 236 unq 3 iso 0 dist 9.89665 4.38595 6.84306 9.05929 14.7998 8.35971 numMergedOcc 0
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95 mol 236 unq 5 iso 0 dist 9.89665 11.247 7.68742 14.0991 11.3368 6.27581 numMergedOcc 0
96 mol 236 unq 6 iso 0 dist 9.05929 4.38595 8.35971 11.3361 14.2337 8.03456 numMergedOcc 0
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98 mol 236 unq 8 iso 0 dist 9.05929 4.38595 8.35971 14.0991 10.7497 9.99038 numMergedOcc 0
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100 mol 236 unq 10 iso 0 dist 8.90987 5.26654 8.03456 11.2664 7.28249 9.81562 numMergedOcc 0
101 mol 236 unq 11 iso 0 dist 8.90987 3.82437 6.84306 11.2664 7.28249 7.68742 numMergedOcc 0
102 mol 236 unq 12 iso 0 dist 8.90987 13.8124 9.99038 11.2664 7.28249 6.27581 numMergedOcc 0
103 mol 236 unq 13 iso 0 dist 8.90987 16.8883 8.35971 15.2598 7.43758 8.04248 numMergedOcc 0
104 mol 236 unq 14 iso 0 dist 5.66569 11.2013 9.99038 12.3675 9.90963 8.03456 numMergedOcc 0
105 mol 236 unq 15 iso 0 dist 5.66569 11.2013 9.99038 11.0771 11.3368 6.84306 numMergedOcc 0
106 mol 236 unq 16 iso 0 dist 5.66569 11.2013 9.99038 15.7385 11.1557 9.78037 numMergedOcc 0
107 mol 236 unq 17 iso 0 dist 5.66569 11.2013 9.99038 13.3367 10.7497 8.35971 numMergedOcc 0
108 mol 236 unq 18 iso 0 dist 5.66569 4.15973 6.27581 12.3675 9.90963 9.81562 numMergedOcc 0
109 mol 236 unq 19 iso 0 dist 5.66569 4.15973 6.27581 11.0771 11.3368 7.68742 numMergedOcc 0
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111 mol 236 unq 21 iso 0 dist 6.11137 15.1664 9.99038 15.2525 11.3368 6.84306 numMergedOcc 0
112 mol 236 unq 22 iso 0 dist 6.11137 15.1664 9.99038 17.0539 11.1557 9.78037 numMergedOcc 0
113 mol 236 unq 23 iso 0 dist 6.11137 15.1664 9.99038 15.4718 10.7497 8.35971 numMergedOcc 0
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115 mol 236 unq 25 iso 0 dist 6.11137 9.01197 6.27581 15.2525 11.3368 7.68742 numMergedOcc 0
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120 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 12.3391 10.582 8.53687 numMergedOcc 0
121 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 12.3795 4.86771 7.84554 numMergedOcc 0
122 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 numMergedOcc 0
123 mol 259 unq 4 iso 0 dist 8.06771 9.79538 7.88519 17.0226 10.4881 9.18903 numMergedOcc 0
124 mol 259 unq 5 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 numMergedOcc 0
125 mol 259 unq 6 iso 0 dist 9.54857 15.3806 7.46176 16.6234 7.64658 7.84554 numMergedOcc 0
126 mol 259 unq 7 iso 0 dist 9.54857 15.3806 7.46176 20.0172 10.5239 9.18903 numMergedOcc 0
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128 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 8.65236 7.00201 9.14619 numMergedOcc 0
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132 mol 273 unq 1 iso 0 dist 8.57501 6.9795 6.92774 15.145 8.55278 9.2983 numMergedOcc 0
133 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 13.4994 6.33073 8.49997 numMergedOcc 0
