0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 12.1754 7.63133 10.8455 12.1682 5.45161 8.33883 9.79958 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 9.56648 5.35079 5.84479 9.18436 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 4.93112 8.58044 7 7.66832 5.5332 8.21889 9.74643 numMergedOcc 0
3 mol 109 unq 1 iso 0 dist 8.73648 9.47324 7.34473 4.48038 9.97763 8.40993 7.66832 5.5332 8.21889 6.86702 numMergedOcc 0
4 mol 109 unq 2 iso 0 dist 8.73648 4.93112 8.58044 9.47324 7.34473 7 7.66832 5.5332 9.74643 8.21889 numMergedOcc 0
5 mol 109 unq 3 iso 0 dist 8.73648 4.93112 8.58044 4.48038 9.97763 6.94915 7.66832 5.5332 9.74643 6.86702 numMergedOcc 0
6 mol 109 unq 4 iso 0 dist 8.73648 4.48038 9.97763 9.47324 7.34473 8.40993 7.66832 5.5332 6.86702 8.21889 numMergedOcc 0
7 mol 109 unq 5 iso 0 dist 8.73648 4.48038 9.97763 4.93112 8.58044 6.94915 7.66832 5.5332 6.86702 9.74643 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.27151 7.83136 7.22206 18.0633 14.3476 7.70533 14.7579 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 6.90827 10.4485 7.90328 4.45276 7.0603 9.3584 18.0633 14.3476 7.70533 16.223 numMergedOcc 0
10 mol 117 unq 2 iso 0 dist 8.90977 13.8755 7.90328 10.6616 7.83136 7.22206 20.747 14.3476 7.70533 14.7579 numMergedOcc 0
11 mol 117 unq 3 iso 0 dist 8.90977 13.8755 7.90328 4.98254 7.0603 9.3584 20.747 14.3476 7.70533 16.223 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 14.524 14.257 8.97145 19.4361 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 10.9705 7.60371 6.5874 15.1013 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 14.524 14.257 8.97145 14.5129 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 10.9705 7.60371 6.5874 11.4628 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.3894 4.84607 6.5107 13.0836 9.52634 9.56949 6.85651 8.00493 8.84018 15.1254 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.82404 4.64588 6.80239 10.2385 6.29155 7.81217 6.23615 7.96098 6.11955 10.4171 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 5.82404 4.64588 6.80239 5.37072 8.00618 7.79672 6.23615 7.96098 6.11955 11.5405 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 11.1874 6.70283 7.65448 16.9685 13.2491 8.89982 14.5119 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 8.36099 7.16148 10.6875 16.9685 13.2491 8.89982 18.3598 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 5.72088 6.57273 4.70378 14.3452 14.2632 6.56437 9.2491 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 5.72088 6.57273 4.70378 15.284 15.0038 6.23882 10.6031 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 8.39002 9.98893 8.95269 5.72088 6.57273 4.70378 15.7131 9.59595 9.53131 10.7064 numMergedOcc 0
24 mol 224 unq 3 iso 0 dist 8.39002 9.98893 8.95269 5.72088 6.57273 4.70378 13.2856 5.63485 9.34636 9.79616 numMergedOcc 0
25 mol 224 unq 4 iso 0 dist 8.39002 9.98893 8.95269 6.51315 5.78342 11.5372 14.3452 14.2632 6.56437 17.4981 numMergedOcc 0
26 mol 224 unq 5 iso 0 dist 8.39002 9.98893 8.95269 6.51315 5.78342 11.5372 15.284 15.0038 6.23882 17.1183 numMergedOcc 0
27 mol 224 unq 6 iso 0 dist 8.39002 9.98893 8.95269 6.51315 5.78342 11.5372 15.7131 9.59595 9.53131 15.1912 numMergedOcc 0
28 mol 224 unq 7 iso 0 dist 8.39002 9.98893 8.95269 6.51315 5.78342 11.5372 13.2856 5.63485 9.34636 10.0081 numMergedOcc 0
29 mol 224 unq 8 iso 0 dist 8.39002 5.72088 6.57273 9.98893 8.95269 4.70378 13.2856 5.63485 9.79616 9.34636 numMergedOcc 0
30 mol 224 unq 9 iso 0 dist 8.39002 5.72088 6.57273 6.51315 5.78342 8.49799 13.2856 5.63485 9.79616 10.0081 numMergedOcc 0
31 mol 224 unq 10 iso 0 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 12.9091 4.8786 9.29703 12.8171 numMergedOcc 0
32 mol 224 unq 11 iso 0 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 12.9091 4.8786 9.29703 11.1052 numMergedOcc 0
33 mol 224 unq 12 iso 0 dist 8.46129 5.72088 6.60589 6.31508 6.65832 6.77699 13.2856 9.36962 9.79616 14.828 numMergedOcc 0
34 mol 224 unq 13 iso 0 dist 8.46129 5.72088 6.60589 6.51315 9.16166 8.49799 13.2856 9.36962 9.79616 10.0081 numMergedOcc 0
35 mol 224 unq 14 iso 0 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 12.9091 7.18448 9.29703 13.5897 numMergedOcc 0
36 mol 224 unq 15 iso 0 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 12.9091 7.18448 9.29703 11.1052 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 10.7439 7.03423 5.57838 17.1493 11.9226 9.84492 10.7645 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 6.94762 6.7625 7.82322 9.36753 6.16697 5.89084 8.47009 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 12.0816 9.45496 7.82322 9.36753 6.16697 8.47009 5.89084 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.05929 4.32403 8.04248 4.38595 8.35971 7.43758 12.3123 6.0258 9.10613 12.9448 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 8.90987 16.8883 8.35971 5.26654 8.03456 14.2337 16.9859 10.054 8.77254 16.0921 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 8.90987 16.8883 8.35971 3.82437 6.84306 14.7998 16.9859 10.054 8.77254 16.2964 numMergedOcc 0
43 mol 236 unq 3 iso 0 dist 8.90987 16.8883 8.35971 13.8124 9.99038 10.7497 16.9859 10.054 8.77254 17.6586 numMergedOcc 0
44 mol 236 unq 4 iso 0 dist 8.90987 16.8883 8.35971 11.2846 9.78037 12.0369 16.9859 10.054 8.77254 13.4564 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 5.98006 5.71237 6.77279 9.58006 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 5.98006 5.71237 9.58006 6.77279 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 10.2215 9.361 10.3202 13.3031 10.0289 6.75305 16.8589 numMergedOcc 0
