0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 5.07985 6.1206 7.12508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.21217 6.09254 7.10621 6.83196 7.67927 11.143 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.45487 5.43751 9.62879 9.29802 9.01112 7.12261 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 6.04677 8.43054 4.65873 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.84479 6.53177 7.63133 6.04677 8.43054 9.81307 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 10.5945 8.09311 11.6226 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 17.5782 9.05357 13.1949 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.90845 9.89489 8.38394 10.5945 8.09311 6.17155 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 17.5782 9.05357 10.3122 numMergedOcc 0
9 mol 38 unq 0 iso 0 dist 9.23576 7.35595 7.50293 4.57886 7.26639 4.40004 numMergedOcc 0
10 mol 38 unq 1 iso 0 dist 9.23576 8.59794 9.91611 4.57886 7.26639 8.68364 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 5.04521 9.22598 9.87158 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 5.04521 8.96727 9.87158 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 10.2341 8.01308 5.86526 numMergedOcc 0
14 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 11.1377 6.56212 7.31539 numMergedOcc 0
15 mol 59 unq 1 iso 0 dist 6.48625 5.30842 9.21998 11.1377 6.56212 11.1607 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 12.0661 7.57295 7.80499 numMergedOcc 0
17 mol 60 unq 1 iso 0 dist 5.83937 10.9885 9.25011 12.0661 7.57295 5.6397 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 5.83937 9.96073 6.43294 12.0661 7.57295 8.62476 numMergedOcc 0
19 mol 60 unq 3 iso 0 dist 5.83937 11.2445 8.52121 12.0661 7.57295 6.55502 numMergedOcc 0
20 mol 60 unq 4 iso 0 dist 8.82095 5.63638 6.65595 7.32774 7.57295 7.80499 numMergedOcc 0
21 mol 60 unq 5 iso 0 dist 8.82095 5.95814 9.25011 7.32774 7.57295 5.6397 numMergedOcc 0
22 mol 60 unq 6 iso 0 dist 8.82095 13.6099 6.43294 7.32774 7.57295 8.62476 numMergedOcc 0
23 mol 60 unq 7 iso 0 dist 8.82095 12.0142 8.52121 7.32774 7.57295 6.55502 numMergedOcc 0
24 mol 60 unq 8 iso 0 dist 6.27749 5.63638 8.90863 4.44758 9.95132 8.27828 numMergedOcc 0
25 mol 60 unq 9 iso 0 dist 6.27749 5.63638 8.90863 7.32774 7.48086 7.80499 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 9.514 11.8037 7.4729 12.7532 8.3773 4.46885 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 8.21889 5.5332 7.34473 10.4255 6.29161 6.73011 numMergedOcc 0
28 mol 109 unq 1 iso 0 dist 8.21889 5.5332 7.34473 14.5244 7.86666 13.0886 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 7.70533 6.29427 9.84395 6.66127 6.10127 6.57678 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 7.70533 14.3476 7.90328 6.66127 6.10127 10.5783 numMergedOcc 0
31 mol 117 unq 2 iso 0 dist 9.85576 10.4589 7.90328 12.4378 8.84018 7.20875 numMergedOcc 0
32 mol 117 unq 3 iso 0 dist 9.85576 14.2649 7.83136 12.4378 8.84018 3.77029 numMergedOcc 0
33 mol 117 unq 4 iso 0 dist 9.85576 9.53886 7.0603 12.4378 8.84018 5.21535 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 8.22696 8.95212 4.39676 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 16.57 7.64052 9.68677 numMergedOcc 0
36 mol 122 unq 0 iso 0 dist 8.33083 12.4383 8.37808 12.2162 6.00603 6.15636 numMergedOcc 0
37 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 12.1959 6.08673 12.8087 numMergedOcc 0
38 mol 129 unq 0 iso 0 dist 6.29026 11.5533 8.54584 4.79473 5.51197 12.1739 numMergedOcc 0
39 mol 129 unq 1 iso 0 dist 6.29026 11.5533 8.54584 10.1802 8.86944 5.63254 numMergedOcc 0
40 mol 129 unq 2 iso 0 dist 6.29026 11.5533 8.54584 5.04019 6.69691 8.26896 numMergedOcc 0
41 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 12.9426 7.22643 6.9945 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 9.4473 11.1611 6.82262 12.9426 7.22643 4.19723 numMergedOcc 0
43 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 9.23267 7.81207 4.67662 numMergedOcc 0
44 mol 142 unq 1 iso 0 dist 7.57458 13.1936 9.2313 13.4776 7.18002 13.5913 numMergedOcc 0
45 mol 142 unq 2 iso 0 dist 7.57458 12.288 7.73169 9.23267 7.81207 5.81599 numMergedOcc 0
46 mol 142 unq 3 iso 0 dist 7.57458 12.288 7.73169 13.4776 7.18002 9.99555 numMergedOcc 0
47 mol 142 unq 4 iso 0 dist 7.57458 14.2067 8.96657 9.23267 7.81207 11.1 numMergedOcc 0
48 mol 142 unq 5 iso 0 dist 7.57458 14.2067 8.96657 13.4776 7.18002 6.52253 numMergedOcc 0
49 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 9.0696 6.59889 5.39112 numMergedOcc 0
50 mol 152 unq 1 iso 0 dist 8.89982 13.2491 8.56324 9.83062 8.9192 4.84714 numMergedOcc 0
51 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 14.8552 9.63417 11.0361 numMergedOcc 0
52 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 9.80877 9.11204 8.44333 numMergedOcc 0
53 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 9.80877 9.11204 6.8202 numMergedOcc 0
54 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 9.80877 9.11204 14.9499 numMergedOcc 0
55 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 9.80877 9.11204 14.2467 numMergedOcc 0
56 mol 182 unq 0 iso 0 dist 7.86625 5.40949 9.31746 4.82437 9.56028 8.82964 numMergedOcc 0
57 mol 205 unq 0 iso 0 dist 8.43584 12.4616 9.61492 14.6356 6.49765 10.6504 numMergedOcc 0
58 mol 205 unq 1 iso 0 dist 8.43584 10.6123 7.45763 14.6356 6.49765 8.67921 numMergedOcc 0
59 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 4.112 7.46481 11.4955 numMergedOcc 0
60 mol 214 unq 1 iso 0 dist 8.49704 11.832 7.14453 4.112 7.46481 8.459 numMergedOcc 0
61 mol 214 unq 2 iso 0 dist 8.49704 10.644 8.85478 4.112 7.46481 11.1534 numMergedOcc 0
62 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 15.1289 6.74196 8.84507 numMergedOcc 0
63 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 13.6078 8.36842 6.02502 numMergedOcc 0
64 mol 222 unq 2 iso 0 dist 8.7347 8.81265 6.00706 13.6261 9.75472 5.18677 numMergedOcc 0
65 mol 222 unq 3 iso 0 dist 8.7347 4.28891 7.54212 15.1289 6.74196 12.8595 numMergedOcc 0
66 mol 222 unq 4 iso 0 dist 8.7347 4.28891 7.54212 13.6078 8.36842 12.5866 numMergedOcc 0
67 mol 222 unq 5 iso 0 dist 8.7347 4.28891 7.54212 13.6261 9.75472 11.9567 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 3.56689 8.08349 5.13732 numMergedOcc 0
69 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 11.4272 8.08349 5.13732 numMergedOcc 0
70 mol 224 unq 2 iso 0 dist 9.79616 5.63485 6.57273 12.65 8.79428 7.05804 numMergedOcc 0
71 mol 224 unq 3 iso 0 dist 9.79616 9.36962 6.60589 12.65 8.79428 5.76843 numMergedOcc 0
72 mol 224 unq 4 iso 0 dist 9.29703 4.8786 5.78342 9.56183 6.8692 7.05804 numMergedOcc 0
73 mol 224 unq 5 iso 0 dist 9.29703 7.18448 9.16166 9.56183 6.8692 5.76843 numMergedOcc 0
74 mol 224 unq 6 iso 0 dist 9.29703 6.38066 5.81334 9.56183 6.8692 4.54188 numMergedOcc 0
75 mol 236 unq 0 iso 0 dist 9.10613 6.0258 8.04248 4.8226 8.23087 4.66414 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 12.4194 9.12776 10.3162 numMergedOcc 0
77 mol 238 unq 1 iso 0 dist 9.31417 6.62361 5.72887 13.338 9.72188 7.06793 numMergedOcc 0
78 mol 238 unq 2 iso 0 dist 5.56719 5.96552 5.72887 12.046 9.72188 7.06793 numMergedOcc 0
79 mol 259 unq 0 iso 0 dist 6.77279 7.55268 8.53687 9.90573 9.07743 6.73882 numMergedOcc 0
80 mol 259 unq 1 iso 0 dist 6.77279 5.71237 8.13497 9.90573 9.07743 8.8603 numMergedOcc 0
81 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 12.7528 9.63573 7.20604 numMergedOcc 0
82 mol 259 unq 3 iso 0 dist 9.58006 5.71237 7.88519 9.90573 7.66153 8.8603 numMergedOcc 0
83 mol 259 unq 4 iso 0 dist 9.58006 9.10984 7.84554 12.7528 9.63573 5.05362 numMergedOcc 0
84 mol 259 unq 5 iso 0 dist 9.58006 9.10984 7.84554 9.90573 7.66153 5.8801 numMergedOcc 0
85 mol 259 unq 6 iso 0 dist 9.58006 11.8501 7.46176 12.7528 9.63573 5.21606 numMergedOcc 0
86 mol 259 unq 7 iso 0 dist 9.58006 11.8501 7.46176 9.90573 7.66153 11.8896 numMergedOcc 0
87 mol 259 unq 8 iso 0 dist 9.58006 13.9868 9.18903 12.7528 9.63573 7.46841 numMergedOcc 0
88 mol 259 unq 9 iso 0 dist 9.58006 13.9868 9.18903 9.90573 7.66153 5.81576 numMergedOcc 0
89 mol 259 unq 10 iso 0 dist 7.93997 14.8465 7.46176 7.06301 5.85442 10.067 numMergedOcc 0
90 mol 259 unq 11 iso 0 dist 7.93997 14.8465 7.46176 7.80863 6.95511 11.6988 numMergedOcc 0
91 mol 276 unq 0 iso 0 dist 9.05218 5.72513 9.8993 5.58312 8.6759 9.39944 numMergedOcc 0
92 mol 276 unq 1 iso 0 dist 9.05218 8.86096 6.87396 5.58312 8.6759 8.26321 numMergedOcc 0
93 mol 277 unq 0 iso 0 dist 6.90434 13.2927 9.7748 8.51268 9.35539 11.4555 numMergedOcc 0
94 mol 277 unq 1 iso 0 dist 6.90434 13.2927 9.7748 13.3706 8.9682 17.6038 numMergedOcc 0
95 mol 277 unq 2 iso 0 dist 6.90434 13.2927 9.7748 12.1739 6.92711 14.772 numMergedOcc 0
96 mol 280 unq 0 iso 0 dist 8.85762 4.95798 6.0664 7.42656 6.86234 4.90315 numMergedOcc 0
