0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 11.0298 5.01101 15.1441 9.87867 6.42835 16.4761 11.6856 21.9871 16.3417 10.2656 7.65889 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 10.6169 9.4099 15.2973 13.7148 15.6595 8.55984 18.0072 18.1063 9.08221 11.6716 11.9025 17.1486 18.0433 7.5247 9.97769 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 10.6169 9.4099 15.2973 13.7148 15.6595 8.55984 18.0072 18.1063 9.08221 16.6757 14.7109 21.6551 22.2868 10.0658 9.32706 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 10.6169 9.4099 11.396 13.7148 15.6595 8.55984 14.0406 18.1063 9.08221 11.6716 11.9025 15.108 18.0433 7.5247 9.97769 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 10.6169 9.4099 11.396 13.7148 15.6595 8.55984 14.0406 18.1063 9.08221 16.6757 14.7109 18.98 22.2868 10.0658 9.32706 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 13.1897 5.61579 15.561 16.9237 5.38524 14.4309 11.715 20.9207 21.6761 5.79773 8.66539 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 13.1897 5.61579 15.561 16.9237 5.38524 5.90225 7.32874 11.396 10.9482 5.47421 8.69057 numMergedOcc 0
7 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 13.1897 5.61579 15.561 16.9237 8.69057 14.4309 11.715 20.9207 21.6761 10.8779 8.66539 numMergedOcc 0
8 mol 58 unq 7 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 13.1897 5.61579 15.561 16.9237 8.69057 9.7274 6.81627 15.2973 15.9764 5.47421 5.38524 numMergedOcc 0
9 mol 58 unq 8 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 13.1897 5.61579 15.561 11.0945 5.38524 14.4309 11.715 20.9207 16.0571 5.79773 8.66539 numMergedOcc 0
10 mol 58 unq 9 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 13.1897 5.61579 15.561 11.0945 5.38524 5.90225 7.32874 11.396 6.40841 5.47421 8.69057 numMergedOcc 0
11 mol 58 unq 10 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 13.1897 5.61579 15.561 11.0945 8.69057 14.4309 11.715 20.9207 16.0571 10.8779 8.66539 numMergedOcc 0
12 mol 58 unq 11 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 13.1897 5.61579 15.561 11.0945 8.69057 9.7274 6.81627 15.2973 10.335 5.47421 5.38524 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 7.12321 7.47371 4.27726 9.88768 6.21799 5.36766 10.8086 12.8385 8.624 7.04035 9.74228 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 9.35457 9.67587 5.93202 12.9007 5.03251 10.1538 15.1902 13.4854 15.4914 5.8486 9.56773 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 13.3207 11.2069 19.0013 17.2861 5.5087 18.8875 16.0098 24.0808 22.6258 8.07446 5.61588 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 14.498 10.6713 21.9204 16.8311 6.08682 18.8875 16.0098 24.0808 22.6258 8.07446 7.83244 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 13.3207 11.2069 6.19168 17.2861 5.5087 18.8875 16.0098 10.7428 22.6258 8.07446 5.61588 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 14.498 10.6713 10.532 16.8311 6.08682 18.8875 16.0098 10.7428 22.6258 8.07446 7.83244 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.72704 10.1589 7.2495 8.8807 6.65086 10.1409 10.5193 9.76432 6.23008 5.16579 6.13211 8.91882 16.3949 13.2001 14.1071 10.6643 10.8375 9.21662 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 8.72704 10.1589 15.9331 8.8807 6.65086 14.9102 10.5193 9.76432 6.23008 14.4607 6.13211 8.91882 16.3949 13.2001 22.831 10.6643 10.8375 9.21662 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 7.22206 7.83136 16.5575 7.63616 10.4223 3.55765 15.7476 5.56883 8.19331 9.3584 7.0603 17.163 10.6107 7.21564 8.85711 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 9.3584 7.0603 17.163 10.6107 10.4223 3.55765 15.7476 5.56883 8.85711 7.22206 7.83136 16.5575 7.63616 7.21564 8.19331 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 7.21868 8.06642 4.00092 5.67107 7.93372 5.62899 11.7385 11.3835 13.0121 10.7144 9.66543 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 7.93372 8.06642 4.00092 5.67107 7.21868 10.7144 11.7385 11.3835 13.0121 5.62899 9.66543 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 11.988 8.06642 12.847 5.67107 7.21868 12.8168 11.7385 13.8307 13.0121 5.62899 9.66543 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 11.988 8.06642 12.847 5.67107 7.21868 5.00817 6.37586 9.5126 5.42582 5.49782 7.93372 numMergedOcc 0
27 mol 134 unq 4 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 11.988 8.06642 12.847 5.67107 7.93372 12.8168 11.7385 13.8307 13.0121 10.7144 9.66543 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 11.988 8.06642 12.847 5.67107 7.93372 8.80819 8.94367 11.9139 8.79571 5.49782 7.21868 numMergedOcc 0
29 mol 134 unq 6 iso 0 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 7.21868 4.00092 8.06642 5.67107 7.93372 5.62899 11.3835 11.7385 13.0121 10.7144 9.66543 numMergedOcc 0
30 mol 134 unq 7 iso 0 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 7.93372 4.00092 8.06642 5.67107 7.21868 10.7144 11.3835 11.7385 13.0121 5.62899 9.66543 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 8.88798 9.1374 15.0228 10.2276 13.2783 12.9532 12.7791 9.37649 9.76212 12.6324 9.94371 16.2058 10.3493 6.01247 8.59874 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 8.88798 9.1374 15.0228 10.7636 13.2783 12.9532 12.7791 9.04392 9.76212 12.6324 9.94371 16.2058 13.1996 6.01247 8.59874 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 8.79428 7.05804 5.76843 10.9705 6.8692 6.77699 10.103 6.65832 11.0097 11.328 6.99769 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 8.79428 5.76843 7.05804 10.9705 6.99769 8.49799 9.16166 5.78342 10.667 11.328 6.8692 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 8.79428 5.76843 7.05804 10.9705 6.8692 6.77699 6.65832 10.103 11.0097 11.328 6.99769 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 6.25105 11.216 10.3337 5.88703 9.45496 12.9605 7.85175 11.6391 12.4252 14.898 10.5304 7.81215 15.2225 17.458 19.889 13.0678 10.2693 5.64285 numMergedOcc 0
37 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 6.25105 11.216 11.4315 5.88703 9.45496 6.7625 7.85175 11.6391 12.4252 5.75498 10.5304 7.81215 15.2225 17.458 10.701 13.0678 10.2693 5.64285 numMergedOcc 0
38 mol 234 unq 2 iso 0 dist 9.36357 8.34494 12.1694 6.25105 11.4315 10.3337 5.88703 6.7625 12.9605 7.85175 11.6391 5.75498 14.898 10.5304 7.81215 15.2225 10.701 19.889 13.0678 10.2693 5.64285 numMergedOcc 0
39 mol 234 unq 3 iso 0 dist 9.36357 6.56247 7.82322 6.25105 11.4315 11.216 5.88703 6.7625 9.45496 7.85175 11.6391 5.75498 12.4252 10.5304 7.81215 15.2225 10.701 17.458 13.0678 10.2693 5.64285 numMergedOcc 0
