0 mol 4 unq 0 iso 0 dist 8.15534 5.12159 6.12485 5.10085 6.66589 6.56189 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.15534 10.7952 9.04027 5.10085 6.66589 6.22773 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 7.58769 5.12159 6.86951 5.10085 9.80478 6.56189 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 5.27589 10.0167 8.07914 9.07166 8.85347 4.964 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.34433 5.9674 7.32913 9.30759 9.58938 4.92159 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 5.63207 6.15285 7.32913 7.38819 9.58938 4.92159 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.71324 10.7791 8.86433 7.70414 9.10915 14.8927 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.71324 10.7791 8.86433 5.89729 7.02352 6.15294 numMergedOcc 0
8 mol 64 unq 2 iso 0 dist 9.5663 12.0987 5.66803 7.70414 5.54343 5.9853 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 7.70037 5.65257 8.70964 4.59504 8.24121 6.57301 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 7.70037 5.65257 8.70964 6.09189 8.52371 10.2661 numMergedOcc 0
11 mol 69 unq 2 iso 0 dist 7.70037 5.65257 8.70964 9.54683 6.8198 8.09841 numMergedOcc 0
12 mol 69 unq 3 iso 0 dist 7.96207 13.133 8.70964 15.5565 8.24121 6.57301 numMergedOcc 0
13 mol 69 unq 4 iso 0 dist 7.96207 13.133 8.70964 11.3689 8.52371 10.2661 numMergedOcc 0
14 mol 69 unq 5 iso 0 dist 7.96207 13.133 8.70964 5.47165 6.8198 8.09841 numMergedOcc 0
15 mol 83 unq 0 iso 0 dist 9.48319 6.77806 7.72515 5.88392 7.77558 4.94406 numMergedOcc 0
16 mol 87 unq 0 iso 0 dist 8.21588 5.34066 5.62336 7.2527 9.1329 5.507 numMergedOcc 0
17 mol 87 unq 1 iso 0 dist 8.21588 5.34066 5.62336 7.55603 9.33217 5.76272 numMergedOcc 0
18 mol 87 unq 2 iso 0 dist 8.21588 5.34066 5.62336 12.2598 9.03114 7.26523 numMergedOcc 0
19 mol 87 unq 3 iso 0 dist 6.62798 10.7803 9.90256 7.2527 5.26938 5.30415 numMergedOcc 0
20 mol 87 unq 4 iso 0 dist 6.62798 10.7803 9.90256 12.2598 8.91602 11.2095 numMergedOcc 0
21 mol 87 unq 5 iso 0 dist 6.62798 5.34066 5.63748 7.2527 5.26938 5.507 numMergedOcc 0
22 mol 87 unq 6 iso 0 dist 6.62798 5.34066 5.63748 12.2598 8.91602 7.26523 numMergedOcc 0
23 mol 87 unq 7 iso 0 dist 8.15104 5.22028 5.62336 8.89893 9.1329 5.507 numMergedOcc 0
24 mol 87 unq 8 iso 0 dist 8.15104 5.22028 5.62336 6.14857 9.33217 5.76272 numMergedOcc 0
25 mol 87 unq 9 iso 0 dist 8.15104 5.22028 5.62336 5.64484 9.03114 7.26523 numMergedOcc 0
26 mol 87 unq 10 iso 0 dist 9.94718 13.2349 9.90256 8.89893 5.26938 5.30415 numMergedOcc 0
27 mol 87 unq 11 iso 0 dist 9.94718 13.2349 9.90256 5.64484 8.91602 11.2095 numMergedOcc 0
28 mol 87 unq 12 iso 0 dist 9.94718 5.22028 5.63748 8.89893 5.26938 5.507 numMergedOcc 0
29 mol 87 unq 13 iso 0 dist 9.94718 5.22028 5.63748 5.64484 8.91602 7.26523 numMergedOcc 0
30 mol 114 unq 0 iso 0 dist 6.79014 5.41029 6.54778 5.23924 5.97879 5.0333 numMergedOcc 0
31 mol 115 unq 0 iso 0 dist 9.18707 10.4327 8.80824 4.82909 6.09472 6.80053 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 9.18707 5.31483 9.67606 4.82909 6.09472 4.45342 numMergedOcc 0
33 mol 115 unq 2 iso 0 dist 5.91786 5.31483 9.41083 4.82909 6.20658 4.45342 numMergedOcc 0
34 mol 115 unq 3 iso 0 dist 5.91786 5.31483 9.41083 6.68557 7.83568 11.8582 numMergedOcc 0
35 mol 122 unq 0 iso 0 dist 6.44313 10.5333 8.9864 5.07035 9.69673 9.33442 numMergedOcc 0
36 mol 124 unq 0 iso 0 dist 8.55572 5.69896 7.18976 9.70366 7.23052 5.1738 numMergedOcc 0
37 mol 189 unq 0 iso 0 dist 8.01521 9.29575 6.38294 5.56399 8.57361 6.35993 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 7.24175 11.0439 5.86911 4.7088 9.4835 13.1789 numMergedOcc 0
39 mol 214 unq 1 iso 0 dist 7.24175 8.85251 7.89258 4.7088 9.4835 10.1543 numMergedOcc 0
40 mol 220 unq 0 iso 0 dist 5.60195 5.84371 9.89039 12.0174 8.9077 13.6952 numMergedOcc 0
41 mol 220 unq 1 iso 0 dist 5.60195 12.9073 8.57174 12.0174 8.9077 13.8822 numMergedOcc 0
42 mol 220 unq 2 iso 0 dist 7.87359 4.72275 9.89039 9.89208 8.9077 13.6952 numMergedOcc 0
43 mol 220 unq 3 iso 0 dist 7.87359 15.2936 8.57174 9.89208 8.9077 13.8822 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 5.46484 5.81446 7.74348 9.62351 9.96011 13.0929 numMergedOcc 0
45 mol 236 unq 1 iso 0 dist 8.80671 14.8289 7.74348 7.47558 9.96011 13.0929 numMergedOcc 0
46 mol 239 unq 0 iso 0 dist 8.49961 13.284 8.48545 17.1024 9.27989 13.3838 numMergedOcc 0
47 mol 240 unq 0 iso 0 dist 7.84314 8.48707 7.19218 12.2549 6.83069 5.36005 numMergedOcc 0
48 mol 240 unq 1 iso 0 dist 7.84314 8.48707 7.19218 12.5785 9.30995 4.4564 numMergedOcc 0
49 mol 241 unq 0 iso 0 dist 7.16232 7.52886 7.26758 5.3674 6.40592 7.3737 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 8.36611 8.31476 8.88741 5.09075 7.15785 6.43209 numMergedOcc 0
51 mol 261 unq 1 iso 0 dist 8.36611 8.31476 8.88741 10.5849 9.43169 7.78464 numMergedOcc 0
52 mol 261 unq 2 iso 0 dist 6.93654 4.95392 7.58385 6.39263 8.50313 6.88989 numMergedOcc 0
53 mol 261 unq 3 iso 0 dist 6.93654 6.94755 6.0437 6.39263 8.50313 4.25662 numMergedOcc 0
54 mol 261 unq 4 iso 0 dist 9.66298 6.94755 4.85199 6.39263 7.6414 4.25662 numMergedOcc 0
55 mol 261 unq 5 iso 0 dist 9.66298 17.3605 9.72159 6.39263 7.6414 12.864 numMergedOcc 0
56 mol 273 unq 0 iso 0 dist 7.29081 12.2394 5.78262 12.0564 6.54753 4.77695 numMergedOcc 0
57 mol 273 unq 1 iso 0 dist 7.29081 7.5139 7.6489 12.0564 6.54753 9.01117 numMergedOcc 0
58 mol 281 unq 0 iso 0 dist 6.81536 9.38089 7.65321 7.23848 9.65665 6.20237 numMergedOcc 0
59 mol 281 unq 1 iso 0 dist 9.89425 5.70549 7.65321 5.01021 9.65665 6.20237 numMergedOcc 0
60 mol 287 unq 0 iso 0 dist 4.98604 5.51191 6.45597 8.54773 7.13655 5.37435 numMergedOcc 0
61 mol 288 unq 0 iso 0 dist 4.98604 5.51191 6.45597 8.54773 7.13655 5.37435 numMergedOcc 0
62 mol 289 unq 0 iso 0 dist 4.98604 5.51191 6.45597 8.54773 7.13655 5.37435 numMergedOcc 0
