0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 5.11636 7.95042 10.9819 8.24948 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 5.11636 10.9819 7.95042 8.24948 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.60739 5.64171 9.06158 5.07458 6.66407 10.0168 7.24352 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 8.60739 9.06158 5.64171 5.07458 10.0168 6.66407 7.24352 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 8.60739 5.64171 11.3891 5.07458 6.66407 10.9975 7.24352 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 8.60739 11.3891 5.64171 5.07458 10.9975 6.66407 7.24352 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 8.60739 9.06158 11.3891 5.07458 10.0168 10.9975 7.24352 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 8.60739 11.3891 9.06158 5.07458 10.9975 10.0168 7.24352 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 7.17396 9.21998 6.05545 8.64015 11.0904 12.9211 6.08003 12.4823 13.2239 7.17026 numMergedOcc 0
9 mol 59 unq 0 iso 1 dist 9.21998 7.17396 6.05545 8.64015 12.9211 11.0904 6.08003 13.2239 12.4823 7.17026 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 6.61823 6.08245 7.24315 5.31547 10.9241 9.36001 6.98037 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 6.61823 7.24315 6.08245 5.31547 9.36001 10.9241 6.98037 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 6.61823 6.08245 7.24315 4.3481 7.06939 12.4681 6.9223 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 6.61823 7.24315 6.08245 4.3481 12.4681 7.06939 6.9223 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 9.33898 9.64443 13.1316 6.49956 6.86728 12.163 4.3481 7.06939 12.4681 7.0561 numMergedOcc 0
15 mol 92 unq 2 iso 1 dist 9.64443 9.33898 13.1316 6.49956 12.163 6.86728 4.3481 12.4681 7.06939 7.0561 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.26086 7.32662 13.4985 3.9764 5.10496 5.92242 8.75597 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 7.26086 13.4985 7.32662 3.9764 5.92242 5.10496 8.75597 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.26086 7.32662 6.934 3.9764 5.10496 5.2571 8.75597 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 7.26086 6.934 7.32662 3.9764 5.2571 5.10496 8.75597 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 7.26086 13.4985 6.934 3.9764 5.92242 5.2571 8.75597 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 7.26086 6.934 13.4985 3.9764 5.2571 5.92242 8.75597 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 5.72642 5.61704 6.4497 5.03039 6.04595 10.5599 8.4965 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 5.03039 10.5599 6.04595 8.4965 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 5.72642 5.61704 7.3094 5.03039 6.04595 11.8378 8.4965 numMergedOcc 0
25 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 5.03039 11.8378 6.04595 8.4965 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 5.03039 10.5599 11.8378 8.4965 numMergedOcc 0
27 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 5.03039 11.8378 10.5599 8.4965 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 16.4114 14.3561 9.71716 8.48313 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 16.4114 9.71716 14.3561 8.48313 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 12.8086 11.0808 9.1998 6.99345 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 12.8086 9.1998 11.0808 6.99345 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 7.41373 9.33094 8.69531 5.11043 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 7.41373 8.69531 9.33094 5.11043 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.28642 5.70788 9.35627 9.84297 10.4285 14.437 6.92726 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.28642 9.35627 5.70788 9.84297 14.437 10.4285 6.92726 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.28642 5.70788 11.2078 9.84297 10.4285 15.2732 6.92726 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 8.28642 11.2078 5.70788 9.84297 15.2732 10.4285 6.92726 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 4.94983 6.70693 10.4895 7.1069 numMergedOcc 0
39 mol 152 unq 2 iso 1 dist 8.87437 5.87555 5.49936 8.35555 10.9728 5.59336 4.94983 10.4895 6.70693 7.1069 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 8.28642 9.35627 11.2078 9.84297 14.437 15.2732 6.92726 numMergedOcc 0
41 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 8.28642 11.2078 9.35627 9.84297 15.2732 14.437 6.92726 numMergedOcc 0
42 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.92088 10.1489 8.27339 6.42973 7.06025 10.0638 8.25282 numMergedOcc 0
43 mol 178 unq 0 iso 1 dist 6.43573 6.69288 5.34677 4.92088 8.27339 10.1489 6.42973 10.0638 7.06025 8.25282 numMergedOcc 0
44 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.92088 10.1489 9.79302 6.42973 7.06025 13.2692 8.25282 numMergedOcc 0
45 mol 178 unq 1 iso 1 dist 7.17202 6.69288 11.7381 4.92088 9.79302 10.1489 6.42973 13.2692 7.06025 8.25282 numMergedOcc 0
46 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.92088 10.1489 8.65097 6.42973 7.06025 15.0672 8.25282 numMergedOcc 0
47 mol 178 unq 2 iso 1 dist 8.81551 6.69288 14.0703 4.92088 8.65097 10.1489 6.42973 15.0672 7.06025 8.25282 numMergedOcc 0
48 mol 178 unq 1 iso 0 dist 6.43573 7.17202 9.89739 4.92088 8.27339 9.79302 6.42973 10.0638 13.2692 8.25282 numMergedOcc 0
49 mol 178 unq 1 iso 1 dist 7.17202 6.43573 9.89739 4.92088 9.79302 8.27339 6.42973 13.2692 10.0638 8.25282 numMergedOcc 0
50 mol 178 unq 2 iso 0 dist 6.43573 8.81551 10.5529 4.92088 8.27339 8.65097 6.42973 10.0638 15.0672 8.25282 numMergedOcc 0
51 mol 178 unq 2 iso 1 dist 8.81551 6.43573 10.5529 4.92088 8.65097 8.27339 6.42973 15.0672 10.0638 8.25282 numMergedOcc 0
52 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 4.92088 9.79302 8.65097 6.42973 13.2692 15.0672 8.25282 numMergedOcc 0
53 mol 178 unq 2 iso 1 dist 8.81551 7.17202 5.18005 4.92088 8.65097 9.79302 6.42973 15.0672 13.2692 8.25282 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 9.40098 6.61986 9.54151 8.37597 6.77927 4.59567 5.13732 11.2501 8.08349 8.54702 numMergedOcc 0
55 mol 224 unq 0 iso 1 dist 6.61986 9.40098 9.54151 8.37597 4.59567 6.77927 5.13732 8.08349 11.2501 8.54702 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 8.03442 10.2525 10.5813 5.0317 10.7855 5.23634 9.43618 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 5.0317 5.23634 10.7855 9.43618 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 9.34734 8.65997 7.60506 8.03442 10.2525 7.22396 5.0317 10.7855 6.91318 9.43618 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 5.0317 6.91318 10.7855 9.43618 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 9.34734 7.56888 7.43198 8.03442 10.2525 6.10296 5.0317 10.7855 11.2661 9.43618 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 7.56888 9.34734 7.43198 8.03442 6.10296 10.2525 5.0317 11.2661 10.7855 9.43618 numMergedOcc 0
62 mol 227 unq 3 iso 0 dist 9.34734 7.55216 9.51866 8.03442 10.2525 9.69537 5.0317 10.7855 12.3663 9.43618 numMergedOcc 0
63 mol 227 unq 3 iso 1 dist 7.55216 9.34734 9.51866 8.03442 9.69537 10.2525 5.0317 12.3663 10.7855 9.43618 numMergedOcc 0
64 mol 227 unq 4 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 4.1511 9.91384 10.3016 5.28771 numMergedOcc 0
65 mol 227 unq 4 iso 1 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 4.1511 10.3016 9.91384 5.28771 numMergedOcc 0
66 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 5.0317 5.23634 6.91318 9.43618 numMergedOcc 0
67 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 5.0317 6.91318 5.23634 9.43618 numMergedOcc 0
68 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 5.0317 5.23634 11.2661 9.43618 numMergedOcc 0
69 mol 227 unq 2 iso 1 dist 7.56888 7.22101 10.8658 8.03442 6.10296 10.5813 5.0317 11.2661 5.23634 9.43618 numMergedOcc 0
70 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 5.0317 5.23634 12.3663 9.43618 numMergedOcc 0
71 mol 227 unq 3 iso 1 dist 7.55216 7.22101 12.4689 8.03442 9.69537 10.5813 5.0317 12.3663 5.23634 9.43618 numMergedOcc 0
72 mol 227 unq 2 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 5.0317 6.91318 11.2661 9.43618 numMergedOcc 0
73 mol 227 unq 2 iso 1 dist 7.56888 8.65997 9.70012 8.03442 6.10296 7.22396 5.0317 11.2661 6.91318 9.43618 numMergedOcc 0
74 mol 227 unq 3 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 5.0317 6.91318 12.3663 9.43618 numMergedOcc 0
75 mol 227 unq 3 iso 1 dist 7.55216 8.65997 12.9332 8.03442 9.69537 7.22396 5.0317 12.3663 6.91318 9.43618 numMergedOcc 0
76 mol 227 unq 3 iso 0 dist 7.56888 7.55216 4.48529 8.03442 6.10296 9.69537 5.0317 11.2661 12.3663 9.43618 numMergedOcc 0
77 mol 227 unq 3 iso 1 dist 7.55216 7.56888 4.48529 8.03442 9.69537 6.10296 5.0317 12.3663 11.2661 9.43618 numMergedOcc 0
78 mol 229 unq 0 iso 0 dist 8.22528 7.03423 5.57838 8.92743 11.6847 9.62106 11.0437 16.8558 14.0816 6.42694 numMergedOcc 0
79 mol 229 unq 0 iso 1 dist 7.03423 8.22528 5.57838 8.92743 9.62106 11.6847 11.0437 14.0816 16.8558 6.42694 numMergedOcc 0
80 mol 229 unq 1 iso 0 dist 8.22528 7.03423 5.57838 8.92743 11.6847 9.62106 11.9989 16.8118 16.0361 7.63917 numMergedOcc 0
81 mol 229 unq 1 iso 1 dist 7.03423 8.22528 5.57838 8.92743 9.62106 11.6847 11.9989 16.0361 16.8118 7.63917 numMergedOcc 0
82 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 8.50331 7.22918 9.05842 11.5307 16.0783 16.07 9.14068 numMergedOcc 0
83 mol 236 unq 0 iso 1 dist 7.68742 9.81562 5.79505 8.50331 9.05842 7.22918 11.5307 16.07 16.0783 9.14068 numMergedOcc 0
84 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 8.50331 7.22918 7.00028 11.5307 16.0783 10.0129 9.14068 numMergedOcc 0
85 mol 236 unq 1 iso 1 dist 6.27581 9.81562 9.90963 8.50331 7.00028 7.22918 11.5307 10.0129 16.0783 9.14068 numMergedOcc 0
86 mol 236 unq 1 iso 0 dist 7.68742 6.27581 11.3368 8.50331 9.05842 7.00028 11.5307 16.07 10.0129 9.14068 numMergedOcc 0
87 mol 236 unq 1 iso 1 dist 6.27581 7.68742 11.3368 8.50331 7.00028 9.05842 11.5307 10.0129 16.07 9.14068 numMergedOcc 0
88 mol 252 unq 0 iso 0 dist 8.1148 8.1715 8.41807 6.11473 9.32326 5.72783 5.6214 13.1298 10.5687 9.39658 numMergedOcc 0
89 mol 252 unq 0 iso 1 dist 8.1715 8.1148 8.41807 6.11473 5.72783 9.32326 5.6214 10.5687 13.1298 9.39658 numMergedOcc 0
90 mol 252 unq 1 iso 0 dist 8.1148 8.1715 8.41807 8.47784 5.89666 10.672 6.62402 10.6424 14.0636 8.19529 numMergedOcc 0
91 mol 252 unq 1 iso 1 dist 8.1715 8.1148 8.41807 8.47784 10.672 5.89666 6.62402 14.0636 10.6424 8.19529 numMergedOcc 0
92 mol 252 unq 2 iso 0 dist 8.1148 8.1715 8.41807 8.47784 5.89666 10.672 10.2463 11.0129 15.7955 6.45396 numMergedOcc 0
93 mol 252 unq 2 iso 1 dist 8.1715 8.1148 8.41807 8.47784 10.672 5.89666 10.2463 15.7955 11.0129 6.45396 numMergedOcc 0
94 mol 252 unq 3 iso 0 dist 8.1148 8.1715 8.41807 6.53679 11.056 5.23748 5.6214 13.1298 10.5687 5.9974 numMergedOcc 0
95 mol 252 unq 3 iso 1 dist 8.1715 8.1148 8.41807 6.53679 5.23748 11.056 5.6214 10.5687 13.1298 5.9974 numMergedOcc 0
96 mol 252 unq 4 iso 0 dist 8.33025 9.2288 8.41807 7.50201 11.056 5.23748 7.40852 13.1298 10.5687 5.9974 numMergedOcc 0
97 mol 252 unq 4 iso 1 dist 9.2288 8.33025 8.41807 7.50201 5.23748 11.056 7.40852 10.5687 13.1298 5.9974 numMergedOcc 0
98 mol 252 unq 5 iso 0 dist 8.33025 7.19638 14.9102 7.50201 11.056 7.63376 7.40852 13.1298 7.15764 5.9974 numMergedOcc 0
99 mol 252 unq 5 iso 1 dist 7.19638 8.33025 14.9102 7.50201 7.63376 11.056 7.40852 7.15764 13.1298 5.9974 numMergedOcc 0
100 mol 252 unq 5 iso 0 dist 9.2288 7.19638 11.7918 7.50201 5.23748 7.63376 7.40852 10.5687 7.15764 5.9974 numMergedOcc 0
101 mol 252 unq 5 iso 1 dist 7.19638 9.2288 11.7918 7.50201 7.63376 5.23748 7.40852 7.15764 10.5687 5.9974 numMergedOcc 0
