0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 5.77374 5.70161 8.0166 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 9.33944 6.22805 8.57437 4.57188 9.32945 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.8603 9.33944 6.22805 12.5174 6.09254 9.90117 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.13983 5.06934 8.91266 9.42142 7.00835 7.66311 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 6.45858 6.35274 8.91266 10.2498 7.00835 7.66311 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 8.609 10.8023 8.37503 13.4305 6.40527 7.83595 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 5.41493 6.07784 4.68793 13.8896 10.9806 8.28673 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 7.12423 10.8401 9.06397 6.50216 5.27155 7.95419 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 17.346 9.82646 9.3473 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 17.346 9.82646 8.14932 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 8.99491 13.6507 8.66921 12.8981 5.33496 6.17846 numMergedOcc 0
11 mol 64 unq 3 iso 0 dist 8.99491 7.89444 5.54343 12.8981 5.33496 6.08228 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 8.04256 5.33771 5.57389 12.2503 4.62335 8.76389 numMergedOcc 0
13 mol 68 unq 1 iso 0 dist 7.51075 9.21957 5.57389 10.4066 4.62335 8.76389 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.2377 7.98579 4.24428 12.2228 8.04817 5.39171 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 8.2377 7.98579 4.24428 14.5455 9.76331 9.27355 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 8.2377 7.98579 4.24428 12.578 10.4402 8.60363 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 6.18305 7.53682 6.30194 5.58346 5.2774 5.39171 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 6.18305 7.53682 6.30194 9.10386 5.44275 9.27355 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 6.18305 7.53682 6.30194 10.4391 8.0624 8.60363 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 4.99966 4.36597 7.55805 6.67575 6.35372 7.57822 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 15.8105 9.60908 9.42175 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 9.42513 5.88232 8.62711 13.1077 6.75619 8.98151 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 5.49877 7.43279 9.05626 11.9351 9.97628 7.9663 numMergedOcc 0
24 mol 159 unq 0 iso 0 dist 4.91784 10.242 8.55431 12.5372 8.50143 7.60912 numMergedOcc 0
25 mol 162 unq 0 iso 0 dist 9.97921 12.2516 9.89142 15.7833 6.89489 8.98459 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 19.3396 13.1346 9.82329 numMergedOcc 0
27 mol 167 unq 1 iso 0 dist 8.43038 5.44954 8.58946 12.7444 13.1346 9.82329 numMergedOcc 0
28 mol 167 unq 2 iso 0 dist 9.87966 9.15105 8.58946 14.7796 13.1346 9.82329 numMergedOcc 0
29 mol 171 unq 0 iso 0 dist 6.07091 5.24208 6.01711 10.111 5.53673 9.47945 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 9.73892 8.43876 5.79186 15.8615 11.2111 8.93927 numMergedOcc 0
31 mol 206 unq 1 iso 0 dist 8.46319 10.4685 5.79186 18.0017 11.2111 8.93927 numMergedOcc 0
32 mol 206 unq 2 iso 0 dist 9.11298 12.6603 5.79186 18.9205 11.2111 8.93927 numMergedOcc 0
33 mol 210 unq 0 iso 0 dist 8.62103 14.9127 8.07523 9.97171 5.82028 6.24111 numMergedOcc 0
34 mol 210 unq 1 iso 0 dist 8.62103 14.9127 8.07523 12.9116 4.62641 8.60412 numMergedOcc 0
35 mol 210 unq 2 iso 0 dist 8.62103 14.823 7.56882 9.97171 5.82028 9.00343 numMergedOcc 0
36 mol 210 unq 3 iso 0 dist 8.62103 14.823 7.56882 12.9116 4.62641 7.05535 numMergedOcc 0
37 mol 212 unq 0 iso 0 dist 5.87223 10.1355 7.87125 14.4767 9.7586 9.26387 numMergedOcc 0
38 mol 212 unq 1 iso 0 dist 8.062 7.5418 7.87125 7.73701 9.7586 9.26387 numMergedOcc 0
39 mol 212 unq 2 iso 0 dist 8.70011 11.1789 7.87125 14.1474 9.7586 9.26387 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 8.5119 5.55907 9.88212 11.6122 9.38348 9.86417 numMergedOcc 0
41 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 12.3614 11.2438 8.36396 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 12.3123 6.0258 9.13126 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 9.94315 15.8036 7.98022 15.9247 6.62361 6.74214 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 9.94315 15.8036 7.98022 15.6563 5.96552 5.33462 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 8.59074 12.1988 7.98022 14.2562 6.62361 6.74214 numMergedOcc 0
46 mol 238 unq 3 iso 0 dist 8.59074 12.1988 7.98022 13.2039 5.96552 5.33462 numMergedOcc 0
47 mol 238 unq 4 iso 0 dist 6.2365 6.12122 7.98022 9.91921 6.62361 6.74214 numMergedOcc 0
48 mol 238 unq 5 iso 0 dist 6.2365 6.12122 7.98022 8.20243 5.96552 5.33462 numMergedOcc 0
49 mol 241 unq 0 iso 0 dist 8.40773 4.84498 6.40592 12.3126 4.86437 9.174 numMergedOcc 0
50 mol 241 unq 1 iso 0 dist 9.18476 6.70277 6.40592 8.15897 4.86437 9.174 numMergedOcc 0
51 mol 253 unq 0 iso 0 dist 5.89502 9.90493 8.07341 15.7064 11.4733 9.58767 numMergedOcc 0
52 mol 253 unq 1 iso 0 dist 7.15815 14.7487 8.07341 17.0634 11.4733 9.58767 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 8.06771 5.73217 6.96379 5.98006 5.71237 6.76656 numMergedOcc 0
54 mol 261 unq 0 iso 0 dist 9.73983 13.4973 7.6414 19.4867 11.544 9.70222 numMergedOcc 0
55 mol 264 unq 0 iso 0 dist 6.83408 4.93509 6.80096 9.8799 5.11257 7.61232 numMergedOcc 0
56 mol 265 unq 0 iso 0 dist 9.772 9.91968 7.54805 10.3071 15.4199 9.56472 numMergedOcc 0
57 mol 265 unq 1 iso 0 dist 9.772 9.91968 7.54805 14.648 12.4903 6.5072 numMergedOcc 0
58 mol 265 unq 2 iso 0 dist 9.772 9.91968 7.54805 11.5231 5.11366 4.03921 numMergedOcc 0
59 mol 266 unq 0 iso 0 dist 8.59986 6.31111 7.72749 13.2523 10.2159 9.58577 numMergedOcc 0
60 mol 272 unq 0 iso 0 dist 9.96394 12.1122 4.78812 15.6437 5.96981 7.50321 numMergedOcc 0
61 mol 272 unq 1 iso 0 dist 9.96394 12.1122 4.78812 15.6477 6.76845 9.61597 numMergedOcc 0
62 mol 279 unq 0 iso 0 dist 7.74162 6.05412 5.17586 9.71653 6.03718 8.57035 numMergedOcc 0
