0 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 6.53177 7.63133 10.8455 6.04677 8.43054 4.65873 9.81307 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.84479 6.53177 7.63133 5.35079 6.31718 10.8455 6.04677 8.43054 9.81307 4.65873 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 10.5945 8.09311 11.6226 6.17155 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.90845 9.89489 8.38394 9.59761 8.86116 6.44287 10.5945 8.09311 6.17155 11.6226 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 9.89489 8.38394 6.44287 17.5782 9.05357 13.1949 10.3122 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.90845 9.89489 8.38394 9.59761 8.86116 6.44287 17.5782 9.05357 10.3122 13.1949 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.23576 7.35595 7.50293 8.59794 9.91611 5.79773 4.57886 7.26639 4.40004 8.68364 numMergedOcc 0
7 mol 38 unq 0 iso 1 dist 9.23576 8.59794 9.91611 7.35595 7.50293 5.79773 4.57886 7.26639 8.68364 4.40004 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 5.30842 9.21998 6.05545 11.1377 6.56212 7.31539 11.1607 numMergedOcc 0
9 mol 59 unq 0 iso 1 dist 6.48625 5.30842 9.21998 6.34264 7.17396 6.05545 11.1377 6.56212 11.1607 7.31539 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 10.9885 9.25011 4.73512 12.0661 7.57295 7.80499 5.6397 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 5.83937 10.9885 9.25011 6.62193 6.65595 4.73512 12.0661 7.57295 5.6397 7.80499 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 5.83937 6.62193 6.65595 9.96073 6.43294 10.6819 12.0661 7.57295 7.80499 8.62476 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 12.0661 7.57295 8.62476 7.80499 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 5.83937 6.62193 6.65595 11.2445 8.52121 8.93946 12.0661 7.57295 7.80499 6.55502 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 5.83937 11.2445 8.52121 6.62193 6.65595 8.93946 12.0661 7.57295 6.55502 7.80499 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 5.83937 10.9885 9.25011 9.96073 6.43294 11.3621 12.0661 7.57295 5.6397 8.62476 numMergedOcc 0
17 mol 60 unq 1 iso 1 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 12.0661 7.57295 8.62476 5.6397 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 5.83937 10.9885 9.25011 11.2445 8.52121 7.66664 12.0661 7.57295 5.6397 6.55502 numMergedOcc 0
19 mol 60 unq 2 iso 1 dist 5.83937 11.2445 8.52121 10.9885 9.25011 7.66664 12.0661 7.57295 6.55502 5.6397 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 12.0661 7.57295 8.62476 6.55502 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 5.83937 11.2445 8.52121 9.96073 6.43294 5.51199 12.0661 7.57295 6.55502 8.62476 numMergedOcc 0
22 mol 60 unq 3 iso 0 dist 8.82095 5.63638 6.65595 5.95814 9.25011 4.73512 7.32774 7.57295 7.80499 5.6397 numMergedOcc 0
23 mol 60 unq 3 iso 1 dist 8.82095 5.95814 9.25011 5.63638 6.65595 4.73512 7.32774 7.57295 5.6397 7.80499 numMergedOcc 0
24 mol 60 unq 4 iso 0 dist 8.82095 5.63638 6.65595 13.6099 6.43294 10.6819 7.32774 7.57295 7.80499 8.62476 numMergedOcc 0
25 mol 60 unq 4 iso 1 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 7.32774 7.57295 8.62476 7.80499 numMergedOcc 0
26 mol 60 unq 5 iso 0 dist 8.82095 5.63638 6.65595 12.0142 8.52121 8.93946 7.32774 7.57295 7.80499 6.55502 numMergedOcc 0
27 mol 60 unq 5 iso 1 dist 8.82095 12.0142 8.52121 5.63638 6.65595 8.93946 7.32774 7.57295 6.55502 7.80499 numMergedOcc 0
28 mol 60 unq 4 iso 0 dist 8.82095 5.95814 9.25011 13.6099 6.43294 11.3621 7.32774 7.57295 5.6397 8.62476 numMergedOcc 0
29 mol 60 unq 4 iso 1 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 7.32774 7.57295 8.62476 5.6397 numMergedOcc 0
30 mol 60 unq 5 iso 0 dist 8.82095 5.95814 9.25011 12.0142 8.52121 7.66664 7.32774 7.57295 5.6397 6.55502 numMergedOcc 0
31 mol 60 unq 5 iso 1 dist 8.82095 12.0142 8.52121 5.95814 9.25011 7.66664 7.32774 7.57295 6.55502 5.6397 numMergedOcc 0
32 mol 60 unq 5 iso 0 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 7.32774 7.57295 8.62476 6.55502 numMergedOcc 0
33 mol 60 unq 5 iso 1 dist 8.82095 12.0142 8.52121 13.6099 6.43294 5.51199 7.32774 7.57295 6.55502 8.62476 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 7.70533 6.29427 9.84395 14.3476 7.90328 13.1058 6.66127 6.10127 6.57678 10.5783 numMergedOcc 0
35 mol 117 unq 0 iso 1 dist 7.70533 14.3476 7.90328 6.29427 9.84395 13.1058 6.66127 6.10127 10.5783 6.57678 numMergedOcc 0
36 mol 117 unq 1 iso 0 dist 9.85576 10.4589 7.90328 14.2649 7.83136 7.22206 12.4378 8.84018 7.20875 3.77029 numMergedOcc 0
37 mol 117 unq 1 iso 1 dist 9.85576 14.2649 7.83136 10.4589 7.90328 7.22206 12.4378 8.84018 3.77029 7.20875 numMergedOcc 0
38 mol 117 unq 2 iso 0 dist 9.85576 10.4589 7.90328 9.53886 7.0603 9.3584 12.4378 8.84018 7.20875 5.21535 numMergedOcc 0
39 mol 117 unq 2 iso 1 dist 9.85576 9.53886 7.0603 10.4589 7.90328 9.3584 12.4378 8.84018 5.21535 7.20875 numMergedOcc 0
40 mol 117 unq 2 iso 0 dist 9.85576 14.2649 7.83136 9.53886 7.0603 7.21564 12.4378 8.84018 3.77029 5.21535 numMergedOcc 0
41 mol 117 unq 2 iso 1 dist 9.85576 9.53886 7.0603 14.2649 7.83136 7.21564 12.4378 8.84018 5.21535 3.77029 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 11.1611 6.82262 5.61668 12.9426 7.22643 6.9945 4.19723 numMergedOcc 0
43 mol 133 unq 0 iso 1 dist 9.4473 11.1611 6.82262 15.4455 8.22656 5.61668 12.9426 7.22643 4.19723 6.9945 numMergedOcc 0
44 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 12.288 7.73169 5.50998 9.23267 7.81207 4.67662 5.81599 numMergedOcc 0
45 mol 142 unq 0 iso 1 dist 7.57458 12.288 7.73169 13.1936 9.2313 5.50998 9.23267 7.81207 5.81599 4.67662 numMergedOcc 0
46 mol 142 unq 1 iso 0 dist 7.57458 13.1936 9.2313 12.288 7.73169 5.50998 13.4776 7.18002 13.5913 9.99555 numMergedOcc 0
47 mol 142 unq 1 iso 1 dist 7.57458 12.288 7.73169 13.1936 9.2313 5.50998 13.4776 7.18002 9.99555 13.5913 numMergedOcc 0
48 mol 142 unq 2 iso 0 dist 7.57458 13.1936 9.2313 14.2067 8.96657 11.1395 9.23267 7.81207 4.67662 11.1 numMergedOcc 0
49 mol 142 unq 2 iso 1 dist 7.57458 14.2067 8.96657 13.1936 9.2313 11.1395 9.23267 7.81207 11.1 4.67662 numMergedOcc 0
50 mol 142 unq 3 iso 0 dist 7.57458 13.1936 9.2313 14.2067 8.96657 11.1395 13.4776 7.18002 13.5913 6.52253 numMergedOcc 0
51 mol 142 unq 3 iso 1 dist 7.57458 14.2067 8.96657 13.1936 9.2313 11.1395 13.4776 7.18002 6.52253 13.5913 numMergedOcc 0
52 mol 142 unq 2 iso 0 dist 7.57458 12.288 7.73169 14.2067 8.96657 5.92693 9.23267 7.81207 5.81599 11.1 numMergedOcc 0
53 mol 142 unq 2 iso 1 dist 7.57458 14.2067 8.96657 12.288 7.73169 5.92693 9.23267 7.81207 11.1 5.81599 numMergedOcc 0
54 mol 142 unq 3 iso 0 dist 7.57458 12.288 7.73169 14.2067 8.96657 5.92693 13.4776 7.18002 9.99555 6.52253 numMergedOcc 0
55 mol 142 unq 3 iso 1 dist 7.57458 14.2067 8.96657 12.288 7.73169 5.92693 13.4776 7.18002 6.52253 9.99555 numMergedOcc 0
56 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 12.4338 6.43573 5.34677 9.80877 9.11204 8.44333 6.8202 numMergedOcc 0
57 mol 178 unq 0 iso 1 dist 8.0974 12.4338 6.43573 12.2822 6.69288 5.34677 9.80877 9.11204 6.8202 8.44333 numMergedOcc 0
58 mol 178 unq 1 iso 0 dist 8.0974 12.2822 6.69288 13.9722 7.17202 11.7381 9.80877 9.11204 8.44333 14.9499 numMergedOcc 0
59 mol 178 unq 1 iso 1 dist 8.0974 13.9722 7.17202 12.2822 6.69288 11.7381 9.80877 9.11204 14.9499 8.44333 numMergedOcc 0
60 mol 178 unq 2 iso 0 dist 8.0974 12.2822 6.69288 13.5599 8.81551 14.0703 9.80877 9.11204 8.44333 14.2467 numMergedOcc 0
61 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 12.2822 6.69288 14.0703 9.80877 9.11204 14.2467 8.44333 numMergedOcc 0
62 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 13.9722 7.17202 9.89739 9.80877 9.11204 6.8202 14.9499 numMergedOcc 0
63 mol 178 unq 1 iso 1 dist 8.0974 13.9722 7.17202 12.4338 6.43573 9.89739 9.80877 9.11204 14.9499 6.8202 numMergedOcc 0
64 mol 178 unq 2 iso 0 dist 8.0974 12.4338 6.43573 13.5599 8.81551 10.5529 9.80877 9.11204 6.8202 14.2467 numMergedOcc 0
65 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 12.4338 6.43573 10.5529 9.80877 9.11204 14.2467 6.8202 numMergedOcc 0
66 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 13.5599 8.81551 5.18005 9.80877 9.11204 14.9499 14.2467 numMergedOcc 0
67 mol 178 unq 2 iso 1 dist 8.0974 13.5599 8.81551 13.9722 7.17202 5.18005 9.80877 9.11204 14.2467 14.9499 numMergedOcc 0
68 mol 205 unq 0 iso 0 dist 8.43584 12.4616 9.61492 10.6123 7.45763 11.8283 14.6356 6.49765 10.6504 8.67921 numMergedOcc 0
69 mol 205 unq 0 iso 1 dist 8.43584 10.6123 7.45763 12.4616 9.61492 11.8283 14.6356 6.49765 8.67921 10.6504 numMergedOcc 0
70 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 11.832 7.14453 9.10746 4.112 7.46481 11.4955 8.459 numMergedOcc 0
71 mol 214 unq 0 iso 1 dist 8.49704 11.832 7.14453 12.4611 9.65138 9.10746 4.112 7.46481 8.459 11.4955 numMergedOcc 0
72 mol 214 unq 1 iso 0 dist 8.49704 12.4611 9.65138 10.644 8.85478 4.40923 4.112 7.46481 11.4955 11.1534 numMergedOcc 0
73 mol 214 unq 1 iso 1 dist 8.49704 10.644 8.85478 12.4611 9.65138 4.40923 4.112 7.46481 11.1534 11.4955 numMergedOcc 0
74 mol 214 unq 1 iso 0 dist 8.49704 11.832 7.14453 10.644 8.85478 11.3796 4.112 7.46481 8.459 11.1534 numMergedOcc 0
75 mol 214 unq 1 iso 1 dist 8.49704 10.644 8.85478 11.832 7.14453 11.3796 4.112 7.46481 11.1534 8.459 numMergedOcc 0
76 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 4.28891 7.54212 6.8425 15.1289 6.74196 8.84507 12.8595 numMergedOcc 0
77 mol 222 unq 0 iso 1 dist 8.7347 4.28891 7.54212 8.81265 6.00706 6.8425 15.1289 6.74196 12.8595 8.84507 numMergedOcc 0
78 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 4.28891 7.54212 6.8425 13.6078 8.36842 6.02502 12.5866 numMergedOcc 0
79 mol 222 unq 1 iso 1 dist 8.7347 4.28891 7.54212 8.81265 6.00706 6.8425 13.6078 8.36842 12.5866 6.02502 numMergedOcc 0
80 mol 222 unq 2 iso 0 dist 8.7347 8.81265 6.00706 4.28891 7.54212 6.8425 13.6261 9.75472 5.18677 11.9567 numMergedOcc 0
81 mol 222 unq 2 iso 1 dist 8.7347 4.28891 7.54212 8.81265 6.00706 6.8425 13.6261 9.75472 11.9567 5.18677 numMergedOcc 0
82 mol 224 unq 0 iso 0 dist 9.79616 5.63485 6.57273 9.36962 6.60589 5.0744 12.65 8.79428 7.05804 5.76843 numMergedOcc 0
83 mol 224 unq 0 iso 1 dist 9.79616 9.36962 6.60589 5.63485 6.57273 5.0744 12.65 8.79428 5.76843 7.05804 numMergedOcc 0
84 mol 224 unq 1 iso 0 dist 9.29703 4.8786 5.78342 7.18448 9.16166 5.0744 9.56183 6.8692 7.05804 5.76843 numMergedOcc 0
85 mol 224 unq 1 iso 1 dist 9.29703 7.18448 9.16166 4.8786 5.78342 5.0744 9.56183 6.8692 5.76843 7.05804 numMergedOcc 0
86 mol 224 unq 2 iso 0 dist 9.29703 4.8786 5.78342 6.38066 5.81334 5.60236 9.56183 6.8692 7.05804 4.54188 numMergedOcc 0
87 mol 224 unq 2 iso 1 dist 9.29703 6.38066 5.81334 4.8786 5.78342 5.60236 9.56183 6.8692 4.54188 7.05804 numMergedOcc 0
88 mol 224 unq 2 iso 0 dist 9.29703 7.18448 9.16166 6.38066 5.81334 6.91102 9.56183 6.8692 5.76843 4.54188 numMergedOcc 0
89 mol 224 unq 2 iso 1 dist 9.29703 6.38066 5.81334 7.18448 9.16166 6.91102 9.56183 6.8692 4.54188 5.76843 numMergedOcc 0
90 mol 259 unq 0 iso 0 dist 6.77279 7.55268 8.53687 5.71237 8.13497 10.582 9.90573 9.07743 6.73882 8.8603 numMergedOcc 0
91 mol 259 unq 0 iso 1 dist 6.77279 5.71237 8.13497 7.55268 8.53687 10.582 9.90573 9.07743 8.8603 6.73882 numMergedOcc 0
92 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 9.10984 7.84554 4.86771 12.7528 9.63573 7.20604 5.05362 numMergedOcc 0
93 mol 259 unq 1 iso 1 dist 9.58006 9.10984 7.84554 5.71237 7.88519 4.86771 12.7528 9.63573 5.05362 7.20604 numMergedOcc 0
94 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 9.10984 7.84554 4.86771 9.90573 7.66153 8.8603 5.8801 numMergedOcc 0
95 mol 259 unq 2 iso 1 dist 9.58006 9.10984 7.84554 5.71237 7.88519 4.86771 9.90573 7.66153 5.8801 8.8603 numMergedOcc 0
96 mol 259 unq 3 iso 0 dist 9.58006 5.71237 7.88519 11.8501 7.46176 6.96053 12.7528 9.63573 7.20604 5.21606 numMergedOcc 0
97 mol 259 unq 3 iso 1 dist 9.58006 11.8501 7.46176 5.71237 7.88519 6.96053 12.7528 9.63573 5.21606 7.20604 numMergedOcc 0
98 mol 259 unq 4 iso 0 dist 9.58006 5.71237 7.88519 11.8501 7.46176 6.96053 9.90573 7.66153 8.8603 11.8896 numMergedOcc 0
99 mol 259 unq 4 iso 1 dist 9.58006 11.8501 7.46176 5.71237 7.88519 6.96053 9.90573 7.66153 11.8896 8.8603 numMergedOcc 0
100 mol 259 unq 5 iso 0 dist 9.58006 5.71237 7.88519 13.9868 9.18903 10.4881 12.7528 9.63573 7.20604 7.46841 numMergedOcc 0
101 mol 259 unq 5 iso 1 dist 9.58006 13.9868 9.18903 5.71237 7.88519 10.4881 12.7528 9.63573 7.46841 7.20604 numMergedOcc 0
102 mol 259 unq 6 iso 0 dist 9.58006 5.71237 7.88519 13.9868 9.18903 10.4881 9.90573 7.66153 8.8603 5.81576 numMergedOcc 0
103 mol 259 unq 6 iso 1 dist 9.58006 13.9868 9.18903 5.71237 7.88519 10.4881 9.90573 7.66153 5.81576 8.8603 numMergedOcc 0
104 mol 259 unq 3 iso 0 dist 9.58006 9.10984 7.84554 11.8501 7.46176 7.64658 12.7528 9.63573 5.05362 5.21606 numMergedOcc 0
105 mol 259 unq 3 iso 1 dist 9.58006 11.8501 7.46176 9.10984 7.84554 7.64658 12.7528 9.63573 5.21606 5.05362 numMergedOcc 0
106 mol 259 unq 4 iso 0 dist 9.58006 9.10984 7.84554 11.8501 7.46176 7.64658 9.90573 7.66153 5.8801 11.8896 numMergedOcc 0
107 mol 259 unq 4 iso 1 dist 9.58006 11.8501 7.46176 9.10984 7.84554 7.64658 9.90573 7.66153 11.8896 5.8801 numMergedOcc 0
108 mol 259 unq 5 iso 0 dist 9.58006 9.10984 7.84554 13.9868 9.18903 5.87173 12.7528 9.63573 5.05362 7.46841 numMergedOcc 0
109 mol 259 unq 5 iso 1 dist 9.58006 13.9868 9.18903 9.10984 7.84554 5.87173 12.7528 9.63573 7.46841 5.05362 numMergedOcc 0
110 mol 259 unq 6 iso 0 dist 9.58006 9.10984 7.84554 13.9868 9.18903 5.87173 9.90573 7.66153 5.8801 5.81576 numMergedOcc 0
111 mol 259 unq 6 iso 1 dist 9.58006 13.9868 9.18903 9.10984 7.84554 5.87173 9.90573 7.66153 5.81576 5.8801 numMergedOcc 0
112 mol 259 unq 5 iso 0 dist 9.58006 11.8501 7.46176 13.9868 9.18903 10.5239 12.7528 9.63573 5.21606 7.46841 numMergedOcc 0
113 mol 259 unq 5 iso 1 dist 9.58006 13.9868 9.18903 11.8501 7.46176 10.5239 12.7528 9.63573 7.46841 5.21606 numMergedOcc 0
114 mol 259 unq 6 iso 0 dist 9.58006 11.8501 7.46176 13.9868 9.18903 10.5239 9.90573 7.66153 11.8896 5.81576 numMergedOcc 0
115 mol 259 unq 6 iso 1 dist 9.58006 13.9868 9.18903 11.8501 7.46176 10.5239 9.90573 7.66153 5.81576 11.8896 numMergedOcc 0
116 mol 276 unq 0 iso 0 dist 9.05218 5.72513 9.8993 8.86096 6.87396 6.88557 5.58312 8.6759 9.39944 8.26321 numMergedOcc 0
117 mol 276 unq 0 iso 1 dist 9.05218 8.86096 6.87396 5.72513 9.8993 6.88557 5.58312 8.6759 8.26321 9.39944 numMergedOcc 0
