0 mol 0 unq 0 iso 0 dist 8.82108 7.55723 5.13216 4.18909 5.83173 6.80636 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.90148 7.55723 5.16658 4.18909 8.903 6.80636 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 5.13744 10.2446 6.36911 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.00925 6.92865 11.3728 6.88402 15.3607 8.99126 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.31149 8.17898 7.59626 12.0005 14.2613 7.03948 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 6.31174 14.6162 8.73972 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 9.79426 7.84393 9.84922 6.31174 9.04865 8.73972 numMergedOcc 0
7 mol 42 unq 0 iso 0 dist 8.84148 8.52254 6.73507 6.79455 11.6888 7.41857 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.36915 5.36645 8.03277 4.16088 10.2994 8.09058 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 6.01454 5.36645 9.26483 4.16088 9.18584 8.09058 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 12.9814 17.231 8.68586 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 8.14932 8.66921 9.82646 11.75 17.231 8.68586 numMergedOcc 0
12 mol 64 unq 2 iso 0 dist 6.17846 8.66921 5.33496 11.75 9.82635 8.68586 numMergedOcc 0
13 mol 64 unq 3 iso 0 dist 6.08228 5.54343 5.33496 5.68492 9.82635 8.68586 numMergedOcc 0
14 mol 64 unq 4 iso 0 dist 9.86958 9.99634 10.8691 8.21081 12.174 9.80142 numMergedOcc 0
15 mol 64 unq 5 iso 0 dist 9.86958 9.99634 10.8691 11.6323 9.82635 9.54144 numMergedOcc 0
16 mol 68 unq 0 iso 0 dist 8.76389 5.57389 4.62335 7.01859 11.3154 7.96497 numMergedOcc 0
17 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 6.51655 14.7243 7.04352 numMergedOcc 0
18 mol 69 unq 1 iso 0 dist 8.36667 8.24121 14.9981 15.9496 21.1392 8.1114 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 5.14919 6.4154 5.64598 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 5.14919 6.4154 4.65521 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 5.14919 9.51458 5.64598 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 5.14919 9.51458 4.65521 numMergedOcc 0
23 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 5.14919 10.9127 5.64598 numMergedOcc 0
24 mol 73 unq 5 iso 0 dist 8.60363 6.30194 8.0624 5.14919 10.9127 4.65521 numMergedOcc 0
25 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 7.62644 12.6881 7.51358 numMergedOcc 0
26 mol 87 unq 1 iso 0 dist 9.10245 5.26938 5.39287 10.8096 11.2241 8.93296 numMergedOcc 0
27 mol 87 unq 2 iso 0 dist 9.10245 8.91602 11.6194 7.62644 12.6881 8.32298 numMergedOcc 0
28 mol 88 unq 0 iso 0 dist 9.64551 9.25163 8.44462 10.2577 12.4392 9.10189 numMergedOcc 0
29 mol 114 unq 0 iso 0 dist 9.6874 5.97879 8.15877 5.84883 10.8293 6.73814 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 8.24549 6.85677 5.19198 9.87733 13.9827 9.80862 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 8.24549 6.85677 5.19198 11.7378 12.9568 8.43904 numMergedOcc 0
32 mol 127 unq 0 iso 0 dist 8.98151 8.62711 6.75619 13.376 14.869 9.81878 numMergedOcc 0
33 mol 130 unq 0 iso 0 dist 7.9663 9.05626 9.97628 5.53247 10.7605 6.89257 numMergedOcc 0
34 mol 130 unq 1 iso 0 dist 7.9663 9.05626 9.97628 8.63186 15.0759 8.74308 numMergedOcc 0
35 mol 140 unq 0 iso 0 dist 9.92335 9.41832 8.78908 6.92517 11.5599 6.95323 numMergedOcc 0
36 mol 140 unq 1 iso 0 dist 9.92335 5.44596 4.83408 6.92517 11.5599 7.27371 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 7.92448 12.2829 9.0664 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 6.21546 6.73365 5.50014 7.92448 12.616 9.0664 numMergedOcc 0
39 mol 175 unq 2 iso 0 dist 6.03184 6.73365 7.28617 7.92448 9.95921 9.0664 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 10.602 10.2559 6.93764 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 15.9026 6.35728 8.60247 numMergedOcc 0
42 mol 214 unq 1 iso 0 dist 7.25293 8.47248 7.84001 15.9026 14.4364 8.60247 numMergedOcc 0
43 mol 218 unq 0 iso 0 dist 9.86417 9.88212 9.38348 13.5954 15.2122 7.18041 numMergedOcc 0
44 mol 218 unq 1 iso 0 dist 9.86417 9.88212 9.38348 12.7227 15.6702 7.17547 numMergedOcc 0
45 mol 219 unq 0 iso 0 dist 9.09462 9.68515 8.99881 6.50565 10.6226 4.87541 numMergedOcc 0
46 mol 219 unq 1 iso 0 dist 4.67452 8.09769 10.0509 7.42613 10.719 4.87541 numMergedOcc 0
47 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 10.4277 10.4686 6.84247 numMergedOcc 0
48 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 12.6281 10.0817 6.99002 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 9.20195 9.04427 8.19953 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 9.20195 15.1149 8.19953 numMergedOcc 0
51 mol 224 unq 2 iso 0 dist 7.62593 4.79841 5.41021 5.64308 10.8214 7.06793 numMergedOcc 0
52 mol 224 unq 3 iso 0 dist 7.62593 4.79841 5.41021 7.32238 6.4508 6.67585 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 6.91184 6.095 5.0258 5.17887 9.73006 5.86443 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 6.91184 6.095 5.0258 5.52229 9.69775 7.22914 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 13.2905 14.0108 6.77463 numMergedOcc 0
56 mol 238 unq 1 iso 0 dist 6.74214 8.89538 10.4952 10.4286 15.4111 7.2766 numMergedOcc 0
57 mol 238 unq 2 iso 0 dist 5.33462 8.89538 7.22173 13.2905 9.75691 6.77463 numMergedOcc 0
58 mol 238 unq 3 iso 0 dist 5.33462 8.89538 7.22173 10.4286 11.8665 7.2766 numMergedOcc 0
59 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 7.99967 12.7138 8.50864 numMergedOcc 0
60 mol 253 unq 0 iso 0 dist 9.58767 8.07341 11.4733 14.0411 14.7327 7.19465 numMergedOcc 0
61 mol 258 unq 0 iso 0 dist 6.08181 9.67877 5.09738 13.6436 10.1492 6.49982 numMergedOcc 0
62 mol 258 unq 1 iso 0 dist 7.70189 9.67877 10.4667 13.6436 15.2899 6.49982 numMergedOcc 0
63 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 8.3872 13.1262 6.34034 numMergedOcc 0
64 mol 265 unq 1 iso 0 dist 6.5072 7.54805 12.4903 8.3872 14.5765 6.34034 numMergedOcc 0
65 mol 265 unq 2 iso 0 dist 4.03921 7.54805 5.11366 8.3872 9.01586 6.34034 numMergedOcc 0
66 mol 266 unq 0 iso 0 dist 9.58577 7.72749 10.2159 13.5492 18.7065 9.02188 numMergedOcc 0
67 mol 272 unq 0 iso 0 dist 7.50321 4.78812 5.96981 6.99865 12.5113 6.73206 numMergedOcc 0
68 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 6.99865 12.5113 9.09992 numMergedOcc 0
69 mol 272 unq 2 iso 0 dist 7.50321 6.62923 7.55961 10.3424 13.6844 6.16449 numMergedOcc 0
70 mol 272 unq 3 iso 0 dist 9.61597 4.78812 6.76845 6.99865 12.8442 6.73206 numMergedOcc 0
71 mol 272 unq 4 iso 0 dist 9.61597 6.62923 5.43733 6.99865 12.8442 9.09992 numMergedOcc 0
72 mol 272 unq 5 iso 0 dist 9.61597 6.62923 5.43733 10.3424 11.1067 6.16449 numMergedOcc 0
73 mol 276 unq 0 iso 0 dist 8.14494 5.30976 9.95911 10.4141 17.9035 8.76347 numMergedOcc 0
74 mol 282 unq 0 iso 0 dist 7.93511 9.51581 5.04235 10.8603 10.0733 7.32347 numMergedOcc 0
75 mol 282 unq 1 iso 0 dist 5.62497 8.58671 4.85461 4.91806 5.2527 6.85028 numMergedOcc 0
76 mol 284 unq 0 iso 0 dist 9.47963 6.86342 7.94887 5.13259 13.4476 7.52785 numMergedOcc 0
