0 mol 7 unq 0 iso 0 dist 7.11539 9.17482 8.72114 12.166 10.1959 5.72491 14.6131 10.3148 12.2041 7.88043 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.8848 11.4699 8.48677 15.1671 9.06304 7.9944 15.8721 11.3467 5.06358 7.032 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 9.91234 8.94818 7.90294 12.2612 6.00418 5.69971 11.8307 13.1118 9.20128 9.83239 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 9.91234 8.94818 7.90294 12.2612 6.00418 5.69971 10.2221 8.22785 10.2941 8.37515 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 9.91234 10.2221 8.22785 12.2612 6.00418 8.37515 8.94818 7.90294 10.2941 5.69971 numMergedOcc 0
5 mol 65 unq 3 iso 0 dist 9.91234 10.2221 8.22785 12.2612 6.00418 8.37515 11.8307 13.1118 8.06868 9.83239 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.67564 13.0429 5.59328 15.3406 8.53212 5.88354 17.2428 10.0186 4.50554 7.89665 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.67564 13.0429 5.59328 15.3406 8.53212 5.88354 17.6762 10.3766 7.40461 5.39354 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 7.67564 13.0429 5.59328 15.3406 8.53212 5.88354 13.699 7.5242 7.72877 5.74854 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.67564 13.0429 5.59328 15.3406 8.53212 5.88354 23.0652 15.4911 10.51 8.76566 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.67564 13.0429 5.59328 15.3406 8.53212 5.88354 23.9478 17.0991 13.5683 8.8368 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.67564 13.699 7.5242 15.3406 8.53212 5.74854 13.0429 5.59328 7.72877 5.88354 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 7.67564 13.699 7.5242 15.3406 8.53212 5.74854 17.2428 10.0186 11.0242 7.89665 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 7.67564 13.699 7.5242 15.3406 8.53212 5.74854 17.6762 10.3766 5.09649 5.39354 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 7.67564 13.699 7.5242 15.3406 8.53212 5.74854 23.0652 15.4911 11.9511 8.76566 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 7.67564 13.699 7.5242 15.3406 8.53212 5.74854 23.9478 17.0991 11.569 8.8368 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 8.60103 11.5098 5.59328 16.4455 8.53212 5.88354 14.2868 10.0186 4.50554 7.89665 numMergedOcc 0
17 mol 98 unq 11 iso 0 dist 8.60103 11.5098 5.59328 16.4455 8.53212 5.88354 17.8514 10.3766 7.40461 5.39354 numMergedOcc 0
18 mol 98 unq 12 iso 0 dist 8.60103 11.5098 5.59328 16.4455 8.53212 5.88354 15.8069 7.5242 7.72877 5.74854 numMergedOcc 0
19 mol 98 unq 13 iso 0 dist 8.60103 11.5098 5.59328 16.4455 8.53212 5.88354 21.7908 15.4911 10.51 8.76566 numMergedOcc 0
20 mol 98 unq 14 iso 0 dist 8.60103 11.5098 5.59328 16.4455 8.53212 5.88354 24.8993 17.0991 13.5683 8.8368 numMergedOcc 0
21 mol 98 unq 15 iso 0 dist 8.60103 15.8069 7.5242 16.4455 8.53212 5.74854 11.5098 5.59328 7.72877 5.88354 numMergedOcc 0
22 mol 98 unq 16 iso 0 dist 8.60103 15.8069 7.5242 16.4455 8.53212 5.74854 14.2868 10.0186 11.0242 7.89665 numMergedOcc 0
23 mol 98 unq 17 iso 0 dist 8.60103 15.8069 7.5242 16.4455 8.53212 5.74854 17.8514 10.3766 5.09649 5.39354 numMergedOcc 0
24 mol 98 unq 18 iso 0 dist 8.60103 15.8069 7.5242 16.4455 8.53212 5.74854 21.7908 15.4911 11.9511 8.76566 numMergedOcc 0
25 mol 98 unq 19 iso 0 dist 8.60103 15.8069 7.5242 16.4455 8.53212 5.74854 24.8993 17.0991 11.569 8.8368 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 7.89317 8.82375 9.23858 14.0617 13.3975 8.56342 9.61981 12.7677 4.85907 7.99857 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 5.66405 13.0477 9.97343 8.02258 5.38571 7.86572 14.4768 11.0743 6.21253 6.69515 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 8.29782 7.69281 5.93786 13.414 6.29877 7.71426 12.3639 8.24693 7.31409 5.10618 numMergedOcc 0
29 mol 171 unq 1 iso 0 dist 8.29782 7.69281 5.93786 13.414 6.29877 7.71426 20.6876 13.8551 13.6814 9.86681 numMergedOcc 0
30 mol 171 unq 2 iso 0 dist 8.29782 12.3639 8.24693 13.414 6.29877 5.10618 7.69281 5.93786 7.31409 7.71426 numMergedOcc 0
31 mol 171 unq 3 iso 0 dist 8.29782 12.3639 8.24693 13.414 6.29877 5.10618 20.6876 13.8551 13.7214 9.86681 numMergedOcc 0
32 mol 171 unq 4 iso 0 dist 7.61144 10.307 8.1344 9.77285 5.90358 7.71426 5.60928 6.71356 7.31409 5.10618 numMergedOcc 0
33 mol 171 unq 5 iso 0 dist 7.61144 10.307 8.1344 9.77285 5.90358 7.71426 19.1925 15.2816 13.6814 9.86681 numMergedOcc 0
34 mol 171 unq 6 iso 0 dist 7.61144 5.60928 6.71356 9.77285 5.90358 5.10618 10.307 8.1344 7.31409 7.71426 numMergedOcc 0
35 mol 171 unq 7 iso 0 dist 7.61144 5.60928 6.71356 9.77285 5.90358 5.10618 19.1925 15.2816 13.7214 9.86681 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 9.854 9.70055 6.95086 7.92844 6.74112 6.60567 9.9116 14.0524 10.7531 7.62942 numMergedOcc 0
37 mol 212 unq 0 iso 0 dist 6.80332 5.3615 9.74144 4.72269 9.75095 6.29767 7.1502 12.6219 4.12932 8.57827 numMergedOcc 0
38 mol 212 unq 1 iso 0 dist 7.64336 5.3615 7.15603 4.72269 9.63281 6.29767 7.1502 10.7294 4.12932 8.57827 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.49129 5.65008 7.57812 10.9992 4.77308 6.66971 10.5857 10.1217 5.40359 6.4398 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.49129 5.65008 7.57812 10.9992 4.77308 6.66971 14.6188 9.24557 10.0191 7.32982 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 9.49129 14.6188 9.24557 10.9992 4.77308 7.32982 5.65008 7.57812 10.0191 6.66971 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 9.49129 14.6188 9.24557 10.9992 4.77308 7.32982 10.5857 10.1217 10.1648 6.4398 numMergedOcc 0
43 mol 238 unq 4 iso 0 dist 6.80544 5.65008 8.69104 10.9992 10.2777 6.66971 10.5857 13.492 5.40359 6.4398 numMergedOcc 0
44 mol 238 unq 5 iso 0 dist 6.80544 5.65008 8.69104 10.9992 10.2777 6.66971 14.6188 12.9364 10.0191 7.32982 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 7.87648 14.0618 9.63959 11.4341 4.22544 9.1925 15.8521 10.3917 4.26007 8.15467 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 7.87648 5.38982 7.21311 8.35413 8.10604 6.70815 12.3699 11.2102 7.26417 7.99477 numMergedOcc 0
