0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 11.9621 12.2041 7.88043 10.3148 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 13.8619 12.4076 6.82379 7.03958 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 12.8381 9.22548 6.24978 9.77703 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 4.92734 9.91124 7.3915 7.97177 8.53529 5.65816 11.723 7.96511 9.66439 12.013 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 12.1434 8.6653 6.61233 11.9439 10.6808 6.90155 7.92503 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 10.3108 4.50554 7.89665 10.0186 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 13.7866 7.40461 5.39354 10.3766 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 11.8527 7.72877 5.74854 7.5242 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 17.2653 10.51 8.76566 15.4911 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 7.00285 10.8678 5.88354 4.81103 5.59328 8.53212 19.5694 13.5683 8.8368 17.0991 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 10.1372 4.50554 7.89665 10.0186 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 14.6816 7.40461 5.39354 10.3766 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 13.7128 7.72877 5.74854 7.5242 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 17.8475 10.51 8.76566 15.4911 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 8.02354 13.5865 5.88354 7.22196 5.59328 8.53212 21.577 13.5683 8.8368 17.0991 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 8.84523 9.01694 5.34214 10.8869 7.80523 10.8469 9.45397 4.98336 7.55384 12.2341 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 9.25614 6.52773 6.96805 11.5266 4.85907 7.99857 9.11344 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.62648 8.9683 8.56342 5.53673 9.23858 13.3975 11.5266 4.85907 7.99857 12.7677 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 10.5805 8.70296 10.8127 21.5913 13.2572 9.15431 15.7676 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 10.5805 8.70296 10.8127 15.0798 6.63273 6.92648 12.6227 numMergedOcc 0
20 mol 131 unq 2 iso 0 dist 8.99949 14.8405 9.29384 8.98062 9.25558 11.2516 21.5913 13.2572 9.15431 18.3571 numMergedOcc 0
21 mol 131 unq 3 iso 0 dist 8.99949 14.8405 9.29384 8.98062 9.25558 11.2516 15.0798 6.63273 6.92648 11.586 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 7.34465 6.21253 6.69515 11.0743 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 12.2067 7.31409 7.71426 5.93786 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 14.894 13.7214 9.86681 13.8551 numMergedOcc 0
25 mol 171 unq 2 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 12.2067 7.31409 7.71426 8.1344 numMergedOcc 0
26 mol 171 unq 3 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 14.894 13.7214 9.86681 15.2816 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 11.3703 9.26504 6.0634 15.8199 10.7531 6.60567 7.36683 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 5.07333 5.44002 8.46033 12.9169 7.38516 8.44861 12.3113 numMergedOcc 0
29 mol 212 unq 0 iso 0 dist 9.47932 14.3725 6.29767 9.63106 9.74144 9.75095 10.4861 4.12932 8.57827 12.6219 numMergedOcc 0
30 mol 212 unq 1 iso 0 dist 9.47932 14.3725 6.29767 10.6561 8.69988 12.8059 10.4861 4.12932 8.57827 11.8495 numMergedOcc 0
31 mol 212 unq 2 iso 0 dist 9.47932 14.3725 6.29767 15.0782 8.55903 10.7914 10.4861 4.12932 8.57827 11.3832 numMergedOcc 0
32 mol 212 unq 3 iso 0 dist 9.47932 14.3725 6.29767 7.56072 7.15603 9.63281 10.4861 4.12932 8.57827 10.7294 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 5.67917 6.85179 6.66971 5.11183 7.57812 4.77308 8.96639 5.40359 6.4398 10.1217 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 5.67917 6.85179 6.66971 5.11183 7.57812 4.77308 12.6253 10.0191 7.32982 9.24557 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 5.67917 6.85179 6.66971 6.32646 8.69104 10.2777 8.96639 5.40359 6.4398 13.492 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 5.67917 6.85179 6.66971 6.32646 8.69104 10.2777 12.6253 10.0191 7.32982 12.9364 numMergedOcc 0
37 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 5.24149 6.68687 15.5587 13.7335 4.28414 8.44909 10.5594 numMergedOcc 0
38 mol 278 unq 0 iso 0 dist 7.58272 12.325 7.67245 4.36832 6.62841 13.537 13.0289 5.74345 9.12395 11.3027 numMergedOcc 0
