0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 16.6461 9.67164 13.156 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 4.7739 5.99459 6.88805 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.91301 8.25051 9.62879 13.8883 9.01112 7.12261 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 6.74026 6.54358 4.10106 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 5.36195 8.43054 4.65873 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 9.76968 12.1754 7.63133 5.36195 8.43054 9.81307 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 6.40447 8.09311 11.6226 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.11056 10.4744 8.86116 3.96014 9.05357 13.1949 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.11056 6.9756 8.38394 6.40447 8.09311 6.17155 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.11056 6.9756 8.38394 3.96014 9.05357 10.3122 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 6.29702 4.79873 10.2864 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 8.40051 13.466 7.57578 13.591 9.48085 5.18617 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.40051 14.4191 7.17969 6.29702 4.79873 11.4148 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 8.40051 14.4191 7.17969 13.591 9.48085 5.68041 numMergedOcc 0
14 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 10.0172 7.52933 5.03027 numMergedOcc 0
15 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 numMergedOcc 0
16 mol 25 unq 6 iso 0 dist 8.6396 5.8503 5.04899 13.5673 9.71956 12.2542 numMergedOcc 0
17 mol 25 unq 7 iso 0 dist 8.6396 5.8503 5.04899 10.4709 7.07751 8.79309 numMergedOcc 0
18 mol 25 unq 8 iso 0 dist 8.6396 5.8503 5.04899 12.2787 8.23761 8.17061 numMergedOcc 0
19 mol 25 unq 9 iso 0 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 numMergedOcc 0
20 mol 25 unq 10 iso 0 dist 7.63928 6.17631 6.03987 4.88495 7.99919 4.77954 numMergedOcc 0
21 mol 38 unq 0 iso 0 dist 5.73067 5.79134 7.50293 5.96514 7.26639 4.40004 numMergedOcc 0
22 mol 38 unq 1 iso 0 dist 5.73067 5.48241 9.91611 5.96514 7.26639 8.68364 numMergedOcc 0
23 mol 56 unq 0 iso 0 dist 7.20538 6.93876 8.66265 7.2452 9.03564 6.75591 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 4.99692 9.22598 9.87158 numMergedOcc 0
25 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 4.99692 8.96727 9.87158 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 4.88613 5.40367 6.35756 3.70586 8.01308 5.86526 numMergedOcc 0
27 mol 64 unq 0 iso 0 dist 8.99491 4.96726 9.67592 9.07673 9.86334 5.16015 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 4.21749 8.68662 6.20232 numMergedOcc 0
29 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 5.65986 7.4369 5.70116 numMergedOcc 0
30 mol 76 unq 0 iso 0 dist 6.4551 8.78063 6.97941 5.79134 9.6952 8.66662 numMergedOcc 0
31 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 6.97936 7.7068 6.36397 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 6.97936 7.7068 4.41789 numMergedOcc 0
33 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 6.97936 7.7068 5.59906 numMergedOcc 0
34 mol 86 unq 0 iso 0 dist 8.88225 8.73453 9.5497 6.62266 7.90423 6.98209 numMergedOcc 0
35 mol 86 unq 1 iso 0 dist 9.49308 10.7693 9.5497 3.88769 7.90423 6.98209 numMergedOcc 0
36 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 10.0429 7.80898 12.1193 numMergedOcc 0
37 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 11.151 7.80898 12.1193 numMergedOcc 0
38 mol 95 unq 0 iso 0 dist 9.65047 5.33325 7.27724 8.55456 9.3948 3.94537 numMergedOcc 0
39 mol 95 unq 1 iso 0 dist 9.65047 5.33325 7.27724 3.84879 9.74607 6.12605 numMergedOcc 0
40 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 8.55456 9.3948 11.3215 numMergedOcc 0
41 mol 95 unq 3 iso 0 dist 9.65047 5.69671 8.03644 3.84879 9.74607 5.06946 numMergedOcc 0
42 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 8.08642 7.07971 4.69373 numMergedOcc 0
43 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 7.09333 8.80934 5.70579 numMergedOcc 0
44 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 4.57067 6.04595 5.03039 numMergedOcc 0
45 mol 115 unq 1 iso 0 dist 5.02717 5.28901 7.30858 5.33827 7.69765 10.3209 numMergedOcc 0
46 mol 115 unq 2 iso 0 dist 5.02717 5.28901 7.30858 12.6105 9.42082 15.3161 numMergedOcc 0
47 mol 115 unq 3 iso 0 dist 5.02717 6.75472 5.83991 5.33827 7.69765 4.48636 numMergedOcc 0
48 mol 115 unq 4 iso 0 dist 5.02717 6.75472 5.83991 12.6105 9.42082 6.63111 numMergedOcc 0
49 mol 115 unq 5 iso 0 dist 5.02717 11.0268 7.88312 5.33827 7.69765 11.835 numMergedOcc 0
50 mol 115 unq 6 iso 0 dist 5.02717 11.0268 7.88312 12.6105 9.42082 6.07067 numMergedOcc 0
51 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.61881 8.84018 7.20875 numMergedOcc 0
52 mol 117 unq 1 iso 0 dist 6.90827 5.27151 7.83136 5.61881 8.84018 3.77029 numMergedOcc 0
53 mol 117 unq 2 iso 0 dist 6.90827 4.45276 7.0603 5.61881 8.84018 5.21535 numMergedOcc 0
54 mol 117 unq 3 iso 0 dist 8.90977 13.8755 7.90328 9.58747 8.84018 7.20875 numMergedOcc 0
55 mol 117 unq 4 iso 0 dist 8.90977 10.6616 7.83136 9.58747 8.84018 3.77029 numMergedOcc 0
56 mol 117 unq 5 iso 0 dist 8.90977 4.98254 7.0603 9.58747 8.84018 5.21535 numMergedOcc 0
57 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 5.92411 8.95212 4.39676 numMergedOcc 0
58 mol 119 unq 1 iso 0 dist 8.44385 12.1192 9.87172 5.92411 6.99446 6.20019 numMergedOcc 0
59 mol 119 unq 2 iso 0 dist 5.63005 10.5268 8.73993 5.92411 7.64052 9.68677 numMergedOcc 0
60 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 4.78332 6.00603 6.15636 numMergedOcc 0
61 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 12.4857 6.00603 6.15636 numMergedOcc 0
62 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 8.71432 6.08673 12.8087 numMergedOcc 0
63 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 9.05571 5.51197 12.1739 numMergedOcc 0
64 mol 129 unq 1 iso 0 dist 9.28278 14.5776 8.54584 14.5546 8.86944 5.63254 numMergedOcc 0
65 mol 129 unq 2 iso 0 dist 9.28278 14.5776 8.54584 9.63308 6.69691 8.26896 numMergedOcc 0
66 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 11.5628 8.77023 13.0405 numMergedOcc 0
67 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 11.5628 8.77023 13.7612 numMergedOcc 0
68 mol 133 unq 2 iso 0 dist 5.82404 5.37072 8.00618 11.5628 8.77023 15.0115 numMergedOcc 0
69 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 3.76211 7.21868 8.06642 numMergedOcc 0
70 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 3.76211 7.21868 4.00092 numMergedOcc 0
71 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 11.6349 9.33924 6.95573 numMergedOcc 0
72 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 3.76211 7.93372 8.06642 numMergedOcc 0
73 mol 134 unq 4 iso 0 dist 9.60411 6.20443 9.71307 11.6349 9.33924 10.2026 numMergedOcc 0
74 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 3.76211 7.93372 4.00092 numMergedOcc 0
75 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 4.63732 7.21868 8.06642 numMergedOcc 0
76 mol 134 unq 7 iso 0 dist 9.55556 6.36794 9.86662 4.63732 7.21868 4.00092 numMergedOcc 0
77 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.60065 7.36975 13.1926 numMergedOcc 0
78 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 4.68518 5.40637 7.39837 numMergedOcc 0
79 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 7.19461 6.64173 6.8757 numMergedOcc 0
80 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 9.77747 9.01624 5.71898 numMergedOcc 0
81 mol 181 unq 2 iso 0 dist 9.84952 4.3158 7.81386 10.0615 9.55105 5.83796 numMergedOcc 0
82 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 numMergedOcc 0
83 mol 181 unq 4 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 numMergedOcc 0
84 mol 181 unq 5 iso 0 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 numMergedOcc 0
85 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 6.96644 6.52816 9.49403 numMergedOcc 0
86 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 6.96644 6.52816 13.514 numMergedOcc 0
87 mol 205 unq 2 iso 0 dist 5.96555 5.87892 7.80463 6.96644 6.52816 3.56269 numMergedOcc 0
88 mol 214 unq 0 iso 0 dist 9.51764 6.28065 9.65138 14.8375 7.46481 11.4955 numMergedOcc 0
89 mol 214 unq 1 iso 0 dist 9.51764 11.2159 7.14453 14.8375 7.46481 8.459 numMergedOcc 0
90 mol 214 unq 2 iso 0 dist 9.51764 6.53326 8.85478 14.8375 7.46481 11.1534 numMergedOcc 0
91 mol 214 unq 3 iso 0 dist 5.36829 11.7583 9.65138 5.47184 7.46481 11.4955 numMergedOcc 0
92 mol 214 unq 4 iso 0 dist 5.36829 4.98764 7.14453 5.47184 7.46481 8.459 numMergedOcc 0
93 mol 214 unq 5 iso 0 dist 5.36829 12.3481 8.85478 5.47184 7.46481 11.1534 numMergedOcc 0
94 mol 220 unq 0 iso 0 dist 7.16386 9.02283 9.41367 4.94998 8.2123 4.49451 numMergedOcc 0
95 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 numMergedOcc 0
96 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 numMergedOcc 0
97 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 3.72432 7.27993 5.70473 numMergedOcc 0
98 mol 229 unq 1 iso 0 dist 8.6537 10.7439 7.03423 3.72432 7.27993 7.22525 numMergedOcc 0
99 mol 229 unq 2 iso 0 dist 5.57702 6.21233 9.87838 3.72432 6.95201 4.61227 numMergedOcc 0
100 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 9.8663 7.81215 12.4252 numMergedOcc 0
101 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 9.8663 7.81215 5.75498 numMergedOcc 0
102 mol 259 unq 0 iso 0 dist 5.90645 4.62072 8.53687 9.54522 9.07743 6.73882 numMergedOcc 0
103 mol 259 unq 1 iso 0 dist 5.90645 10.4985 8.13497 9.54522 9.07743 8.8603 numMergedOcc 0
104 mol 259 unq 2 iso 0 dist 8.06771 6.64729 8.13497 9.0675 9.46361 12.2293 numMergedOcc 0
105 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 9.0675 9.46361 11.6988 numMergedOcc 0
106 mol 259 unq 4 iso 0 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 numMergedOcc 0
107 mol 259 unq 5 iso 0 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 numMergedOcc 0
108 mol 259 unq 6 iso 0 dist 6.42725 8.70769 5.30224 11.761 8.03219 4.04513 numMergedOcc 0
109 mol 259 unq 7 iso 0 dist 6.42725 8.70769 5.30224 6.09466 6.9899 7.09907 numMergedOcc 0
110 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 3.7218 6.44147 5.12237 numMergedOcc 0
111 mol 273 unq 0 iso 0 dist 8.57501 6.9795 6.92774 3.84082 9.21786 5.75897 numMergedOcc 0
112 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 numMergedOcc 0
113 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 numMergedOcc 0
114 mol 277 unq 2 iso 0 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 numMergedOcc 0
115 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 8.88312 7.20674 7.8414 numMergedOcc 0
116 mol 292 unq 1 iso 0 dist 9.20416 5.26243 8.2734 12.3704 8.38121 14.179 numMergedOcc 0
117 mol 292 unq 2 iso 0 dist 7.53641 5.58251 8.2734 10.0594 7.20674 7.8414 numMergedOcc 0
118 mol 292 unq 3 iso 0 dist 7.53641 5.58251 8.2734 15.5666 8.38121 14.179 numMergedOcc 0
