0 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 5.13744 10.2446 6.36911 7.38748 10.1841 5.0893 8.77133 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.00925 6.92865 11.3728 6.88402 15.3607 8.99126 8.68949 16.2669 8.33226 8.70858 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.84148 8.52254 6.73507 6.79455 11.6888 7.41857 5.52834 5.21506 4.38082 6.51963 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 12.9814 17.231 8.68586 13.034 14.2199 5.9853 5.1488 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.14932 8.66921 9.82646 11.75 17.231 8.68586 10.2564 14.2199 5.9853 5.1488 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 6.17846 8.66921 5.33496 11.75 9.82635 8.68586 10.2564 5.88036 5.9853 5.1488 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 6.08228 5.54343 5.33496 5.68492 9.82635 8.68586 5.66803 5.88036 5.9853 5.1488 numMergedOcc 0
7 mol 64 unq 4 iso 0 dist 9.86958 9.99634 10.8691 8.21081 12.174 9.80142 8.85416 5.88036 6.43864 7.77991 numMergedOcc 0
8 mol 64 unq 5 iso 0 dist 9.86958 9.99634 10.8691 11.6323 9.82635 9.54144 8.85416 5.88036 6.43864 5.1488 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 6.51655 14.7243 7.04352 13.7712 21.5201 7.50148 9.7198 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 5.14919 6.4154 5.64598 8.44279 10.8619 4.60412 6.96647 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 5.14919 6.4154 4.65521 8.44279 10.8619 6.33833 6.96647 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 5.14919 9.51458 5.64598 8.44279 10.996 4.60412 6.96647 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 5.14919 9.51458 4.65521 8.44279 10.996 6.33833 6.96647 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 5.14919 10.9127 5.64598 8.44279 13.2175 4.60412 6.96647 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 8.60363 6.30194 8.0624 5.14919 10.9127 4.65521 8.44279 13.2175 6.33833 6.96647 numMergedOcc 0
16 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 7.62644 12.6881 7.51358 9.90256 5.83874 5.30415 9.53368 numMergedOcc 0
17 mol 87 unq 1 iso 0 dist 9.10245 5.26938 5.39287 7.62644 12.6881 7.51358 16.7109 19.497 14.9517 9.64421 numMergedOcc 0
18 mol 87 unq 2 iso 0 dist 9.10245 5.26938 5.39287 7.62644 12.6881 7.51358 12.0487 15.3116 10.4977 6.72471 numMergedOcc 0
19 mol 87 unq 3 iso 0 dist 9.10245 5.26938 5.39287 10.8096 11.2241 8.93296 9.90256 5.83874 5.30415 6.54532 numMergedOcc 0
20 mol 87 unq 4 iso 0 dist 9.10245 8.91602 11.6194 7.62644 12.6881 8.32298 9.90256 5.83874 11.2095 9.53368 numMergedOcc 0
21 mol 87 unq 5 iso 0 dist 9.10245 8.91602 11.6194 7.62644 12.6881 8.32298 16.7109 19.497 11.9144 9.64421 numMergedOcc 0
22 mol 87 unq 6 iso 0 dist 9.10245 8.91602 11.6194 7.62644 12.6881 8.32298 12.0487 15.3116 6.12372 6.72471 numMergedOcc 0
23 mol 88 unq 0 iso 0 dist 9.64551 9.25163 8.44462 10.2577 12.4392 9.10189 17.2075 16.8335 14.0389 7.11852 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 9.6874 5.97879 8.15877 5.84883 10.8293 6.73814 6.54778 4.84565 5.0333 6.06039 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 7.9663 9.05626 9.97628 8.63186 15.0759 8.74308 12.4848 14.7651 5.21262 8.28884 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 10.602 10.2559 6.93764 9.40718 5.15002 5.32364 9.23089 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 9.20195 9.04427 8.19953 9.7994 4.49347 8.00193 7.26162 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 9.20195 15.1149 8.19953 9.7994 14.9838 8.00193 7.26162 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 9.47963 6.86342 7.94887 5.13259 13.4476 7.52785 10.0618 15.0293 11.2546 9.73261 numMergedOcc 0
