0 mol 4 unq 0 iso 0 dist 6.12485 6.66589 6.56189 6.21697 6.86951 9.80478 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.86951 9.80478 6.56189 6.21697 6.12485 6.66589 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.6051 8.17618 6.67154 10.1259 8.15864 12.5465 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 12.1186 8.85416 13.7301 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.85416 9.99634 6.43864 12.1186 5.66803 12.0432 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 10.6111 6.04303 15.2666 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.27009 7.9572 10.6864 6.9953 6.12267 13.4813 numMergedOcc 0
7 mol 67 unq 2 iso 0 dist 8.27009 8.64208 13.0612 10.6111 6.04303 14.601 numMergedOcc 0
8 mol 67 unq 3 iso 0 dist 8.27009 8.64208 13.0612 6.9953 6.12267 13.9132 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.0928 5.73235 11.7544 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 6.69898 7.57471 6.8014 numMergedOcc 0
11 mol 87 unq 1 iso 0 dist 9.90256 8.91602 11.2095 6.69898 7.57471 11.835 numMergedOcc 0
12 mol 87 unq 2 iso 0 dist 7.57471 6.8014 5.30415 6.69898 9.90256 5.26938 numMergedOcc 0
13 mol 87 unq 3 iso 0 dist 5.62336 9.1329 5.507 5.38943 5.63748 5.26938 numMergedOcc 0
14 mol 87 unq 4 iso 0 dist 5.62336 9.33217 5.76272 5.38943 5.63748 11.099 numMergedOcc 0
15 mol 87 unq 5 iso 0 dist 5.62336 9.03114 7.26523 5.38943 5.63748 8.91602 numMergedOcc 0
16 mol 87 unq 6 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 numMergedOcc 0
17 mol 87 unq 7 iso 0 dist 5.63748 8.91602 7.26523 5.38943 5.62336 9.03114 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 10.5302 9.3757 11.0565 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 6.54778 5.97879 5.0333 8.36743 8.57909 11.646 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.67606 6.09472 4.45342 5.54133 9.41083 6.20658 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 9.41083 6.20658 4.45342 5.54133 9.67606 6.09472 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 9.41083 7.83568 11.8582 5.54133 9.67606 12.9952 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 8.76088 8.96061 8.99025 9.34083 5.79195 13.8241 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.76088 8.96061 8.99025 11.2107 9.2759 10.2321 numMergedOcc 0
25 mol 140 unq 0 iso 0 dist 9.13339 8.28732 7.94378 8.73614 7.60956 13.4222 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 7.30751 8.15223 7.87851 10.1297 9.96586 16.0097 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 9.11481 8.8573 5.06947 6.11195 7.41092 9.35182 numMergedOcc 0
28 mol 168 unq 1 iso 0 dist 7.41092 9.35182 5.06947 6.11195 9.11481 8.8573 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 4.6893 7.30813 9.09725 numMergedOcc 0
30 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 9.61687 8.85111 15.8237 numMergedOcc 0
31 mol 182 unq 1 iso 0 dist 8.27913 9.36307 8.27268 11.427 6.38335 12.9992 numMergedOcc 0
32 mol 189 unq 0 iso 0 dist 6.38294 8.57361 6.35993 8.74557 9.47321 13.531 numMergedOcc 0
33 mol 212 unq 0 iso 0 dist 6.36102 7.3529 4.06334 5.4231 7.6819 10.7307 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 8.94237 5.86911 16.48 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 5.86911 9.4835 13.1789 8.94237 7.82201 17.4836 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 6.99846 9.86144 9.58343 numMergedOcc 0
37 mol 220 unq 1 iso 0 dist 6.39087 7.29796 13.2427 6.99846 9.86144 12.0159 numMergedOcc 0
38 mol 220 unq 2 iso 0 dist 9.86144 9.58343 12.2765 6.99846 6.39087 7.30244 numMergedOcc 0
39 mol 220 unq 3 iso 0 dist 8.57174 8.9077 13.8822 12.1405 6.80214 12.7786 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 8.63249 6.36941 7.45579 15.386 7.74348 12.2331 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 7.74348 9.96011 13.0929 15.386 8.63249 21.314 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 8.70193 7.9357 4.51422 7.64421 7.25618 8.81059 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 8.70193 5.79537 4.99997 7.64421 7.25618 9.12006 numMergedOcc 0
45 mol 258 unq 2 iso 0 dist 7.25618 9.67877 15.0574 7.64421 8.70193 17.1491 numMergedOcc 0
46 mol 258 unq 3 iso 0 dist 7.25618 8.81059 4.51422 7.64421 8.70193 7.9357 numMergedOcc 0
47 mol 258 unq 4 iso 0 dist 7.25618 9.12006 4.99997 7.64421 8.70193 5.79537 numMergedOcc 0
48 mol 261 unq 0 iso 0 dist 6.0437 8.50313 4.25662 4.70691 4.85199 7.6414 numMergedOcc 0
49 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 9.51335 9.13604 12.8798 numMergedOcc 0
50 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 4.70691 6.0437 8.50313 numMergedOcc 0
51 mol 261 unq 3 iso 0 dist 4.85199 7.6414 4.25662 6.43452 9.13604 12.8798 numMergedOcc 0
52 mol 261 unq 4 iso 0 dist 9.72159 7.6414 12.864 6.43452 6.89731 12.8798 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 11.3688 6.66936 15.0284 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 8.15119 8.35794 7.94155 11.3688 6.66936 14.2462 numMergedOcc 0
55 mol 280 unq 0 iso 0 dist 9.76967 9.26066 18.1328 11.8293 8.83076 19.6794 numMergedOcc 0
56 mol 287 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 numMergedOcc 0
57 mol 287 unq 1 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 numMergedOcc 0
58 mol 288 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 numMergedOcc 0
59 mol 288 unq 1 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 numMergedOcc 0
60 mol 289 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 numMergedOcc 0
61 mol 289 unq 1 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 numMergedOcc 0
