0 mol 7 unq 0 iso 0 dist 5.77374 9.33944 8.0166 9.8603 5.70161 6.22805 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.33944 9.32945 9.8603 4.57188 6.22805 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.84857 7.62195 8.41173 9.67996 6.3027 6.22892 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 9.42142 5.06934 7.66311 8.13983 7.00835 8.91266 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 9.56648 10.143 7.88676 12.9591 6.53177 7.46752 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.94799 8.40505 5.86972 15.7229 10.4994 8.86547 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 6.50216 10.8401 7.95419 7.12423 5.27155 9.06397 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 9.43662 8.04817 4.24428 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.58346 7.53682 5.39171 6.18305 5.2774 6.30194 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 9.10386 7.53682 9.27355 9.43662 9.76331 4.24428 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 9.10386 7.53682 9.27355 6.18305 5.44275 6.30194 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 9.66744 14.7261 5.39171 17.4326 8.04817 4.24428 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 9.66744 14.7261 5.39171 12.9661 5.2774 6.30194 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.52125 13.5152 6.60356 22.5199 14.3495 9.57498 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 8.9889 10.1806 7.57822 13.6948 6.35372 7.55805 numMergedOcc 0
15 mol 103 unq 1 iso 0 dist 6.67575 4.36597 7.57822 4.99966 6.35372 7.55805 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.77869 15.3374 8.954 15.3517 8.35998 9.42819 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.89709 12.6035 7.02662 10.799 6.3719 6.99623 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.12583 10.2313 9.94142 16.7056 11.5966 8.93307 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 7.73701 7.5418 9.26387 10.355 8.61765 9.1384 numMergedOcc 0
20 mol 212 unq 1 iso 0 dist 7.73701 7.5418 9.26387 8.062 9.7586 7.87125 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 8.79299 4.10975 6.01666 13.0482 5.42652 9.90668 numMergedOcc 0
22 mol 219 unq 0 iso 0 dist 9.52151 7.00921 4.67452 10.5566 10.0509 8.09769 numMergedOcc 0
23 mol 219 unq 1 iso 0 dist 9.52151 7.00921 4.67452 9.97512 5.48556 7.24832 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.65696 9.42128 8.98362 14.2312 6.80494 9.85951 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 8.74076 5.06139 6.23346 12.9008 5.53578 8.56954 numMergedOcc 0
26 mol 230 unq 1 iso 0 dist 8.74076 5.06139 6.23346 13.1282 7.7551 9.23938 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.91921 6.12122 6.74214 13.4809 10.4952 8.89538 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.91921 6.12122 6.74214 6.2365 6.62361 7.98022 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 8.20243 6.12122 5.33462 13.4809 7.22173 8.89538 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 8.20243 6.12122 5.33462 6.2365 5.96552 7.98022 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 8.15897 6.70277 9.174 9.18476 4.86437 6.40592 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 7.03809 9.0218 9.58767 14.2283 11.4733 8.07341 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 5.98006 5.73217 6.76656 8.06771 5.71237 6.96379 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 8.05522 11.7681 7.61232 12.5282 5.11257 6.80096 numMergedOcc 0
35 mol 264 unq 1 iso 0 dist 9.8799 4.93509 7.61232 6.83408 5.11257 6.80096 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 8.22353 8.39994 9.56472 11.5176 15.4199 7.54805 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 7.62562 10.4456 6.12202 11.9266 7.96313 9.81087 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 9.71653 6.05412 8.57035 7.74162 6.03718 5.17586 numMergedOcc 0
39 mol 280 unq 0 iso 0 dist 7.10723 9.13465 7.02503 13.1682 8.10688 8.40961 numMergedOcc 0
40 mol 280 unq 1 iso 0 dist 7.10723 14.2183 9.18164 13.1682 8.10688 9.42213 numMergedOcc 0
41 mol 280 unq 2 iso 0 dist 6.8664 7.59724 7.02503 13.0794 8.10688 8.40961 numMergedOcc 0
42 mol 280 unq 3 iso 0 dist 6.8664 7.88431 9.18164 13.0794 8.10688 9.42213 numMergedOcc 0
