0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.92532 12.3486 5.18512 10.3648 17.4261 11.6624 7.69625 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 6.92532 5.18512 12.3486 10.3648 11.6624 17.4261 7.69625 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 6.92532 12.3486 9.47529 10.3648 17.4261 13.8921 7.69625 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 6.92532 9.47529 12.3486 10.3648 13.8921 17.4261 7.69625 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 6.92532 5.18512 9.47529 10.3648 11.6624 13.8921 7.69625 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 6.92532 9.47529 5.18512 10.3648 13.8921 11.6624 7.69625 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 6.58998 10.7114 6.72502 9.38831 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 6.58998 6.72502 10.7114 9.38831 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 11.2106 13.0257 15.7639 9.40479 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 11.2106 15.7639 13.0257 9.40479 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 5.97304 6.60423 9.0934 9.38831 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 5.97304 9.0934 6.60423 9.38831 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.60739 5.64171 9.06158 5.48048 8.44903 10.0649 7.31982 numMergedOcc 0
13 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 8.60739 9.06158 5.64171 5.48048 10.0649 8.44903 7.31982 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 8.60739 5.64171 11.3891 5.48048 8.44903 13.5072 7.31982 numMergedOcc 0
15 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 8.60739 11.3891 5.64171 5.48048 13.5072 8.44903 7.31982 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 8.60739 9.06158 11.3891 5.48048 10.0649 13.5072 7.31982 numMergedOcc 0
17 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 8.60739 11.3891 9.06158 5.48048 13.5072 10.0649 7.31982 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 5.72642 5.61704 6.4497 7.21418 10.0289 10.9766 8.71286 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 7.21418 10.9766 10.0289 8.71286 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 5.72642 5.61704 7.3094 7.21418 10.0289 5.74857 8.71286 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 7.21418 5.74857 10.0289 8.71286 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 7.21418 10.9766 5.74857 8.71286 numMergedOcc 0
23 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 7.21418 5.74857 10.9766 8.71286 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 6.11741 7.88312 7.69052 5.74857 6.08806 7.21418 7.3094 10.9734 5.72642 8.71286 numMergedOcc 0
25 mol 115 unq 2 iso 1 dist 7.88312 6.11741 7.69052 5.74857 7.21418 6.08806 7.3094 5.72642 10.9734 8.71286 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.28642 5.70788 9.35627 5.59336 8.35555 10.4911 6.39031 numMergedOcc 0
27 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.28642 9.35627 5.70788 5.59336 10.4911 8.35555 6.39031 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.28642 5.70788 11.2078 5.59336 8.35555 13.0858 6.39031 numMergedOcc 0
29 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 8.28642 11.2078 5.70788 5.59336 13.0858 8.35555 6.39031 numMergedOcc 0
30 mol 152 unq 2 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 7.78913 9.39331 13.5822 8.60521 numMergedOcc 0
31 mol 152 unq 2 iso 1 dist 8.87437 5.87555 5.49936 8.35555 10.9728 5.59336 7.78913 13.5822 9.39331 8.60521 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 5.70788 8.28642 13.1536 6.39031 numMergedOcc 0
33 mol 152 unq 3 iso 1 dist 8.87437 5.87555 5.49936 8.35555 10.9728 5.59336 5.70788 13.1536 8.28642 6.39031 numMergedOcc 0
34 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 8.28642 9.35627 11.2078 5.59336 10.4911 13.0858 6.39031 numMergedOcc 0
35 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 8.28642 11.2078 9.35627 5.59336 13.0858 10.4911 6.39031 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.73169 5.71107 11.2067 5.82636 6.2319 9.97732 4.9941 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.73169 11.2067 5.71107 5.82636 9.97732 6.2319 4.9941 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 5.38091 10.7023 9.00862 6.44255 9.43259 11.1392 5.90883 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 5.38091 9.00862 10.7023 6.44255 11.1392 9.43259 5.90883 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 8.34702 9.06726 6.31306 5.38091 10.7023 9.00862 5.82636 6.2319 9.97732 8.06913 numMergedOcc 0
41 mol 156 unq 2 iso 1 dist 9.06726 8.34702 6.31306 5.38091 9.00862 10.7023 5.82636 9.97732 6.2319 8.06913 numMergedOcc 0
42 mol 156 unq 3 iso 0 dist 8.34702 8.33171 6.56229 7.73169 5.71107 9.44399 5.82636 6.2319 10.5243 4.9941 numMergedOcc 0
43 mol 156 unq 3 iso 1 dist 8.33171 8.34702 6.56229 7.73169 9.44399 5.71107 5.82636 10.5243 6.2319 4.9941 numMergedOcc 0
44 mol 156 unq 4 iso 0 dist 8.34702 8.33171 6.56229 5.38091 10.7023 11.1271 6.44255 9.43259 12.8935 5.90883 numMergedOcc 0
45 mol 156 unq 4 iso 1 dist 8.33171 8.34702 6.56229 5.38091 11.1271 10.7023 6.44255 12.8935 9.43259 5.90883 numMergedOcc 0
46 mol 156 unq 5 iso 0 dist 8.34702 8.33171 6.56229 5.38091 10.7023 11.1271 5.82636 6.2319 10.5243 8.06913 numMergedOcc 0
47 mol 156 unq 5 iso 1 dist 8.33171 8.34702 6.56229 5.38091 11.1271 10.7023 5.82636 10.5243 6.2319 8.06913 numMergedOcc 0
48 mol 156 unq 3 iso 0 dist 9.06726 8.33171 5.64555 7.73169 11.2067 9.44399 5.82636 9.97732 10.5243 4.9941 numMergedOcc 0
49 mol 156 unq 3 iso 1 dist 8.33171 9.06726 5.64555 7.73169 9.44399 11.2067 5.82636 10.5243 9.97732 4.9941 numMergedOcc 0
50 mol 156 unq 4 iso 0 dist 9.06726 8.33171 5.64555 5.38091 9.00862 11.1271 6.44255 11.1392 12.8935 5.90883 numMergedOcc 0
51 mol 156 unq 4 iso 1 dist 8.33171 9.06726 5.64555 5.38091 11.1271 9.00862 6.44255 12.8935 11.1392 5.90883 numMergedOcc 0
52 mol 156 unq 5 iso 0 dist 9.06726 8.33171 5.64555 5.38091 9.00862 11.1271 5.82636 9.97732 10.5243 8.06913 numMergedOcc 0
53 mol 156 unq 5 iso 1 dist 8.33171 9.06726 5.64555 5.38091 11.1271 9.00862 5.82636 10.5243 9.97732 8.06913 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 8.87694 9.09754 9.50685 6.85302 8.90184 4.37002 9.97575 15.9107 8.64409 7.55358 numMergedOcc 0
55 mol 186 unq 0 iso 1 dist 9.09754 8.87694 9.50685 6.85302 4.37002 8.90184 9.97575 8.64409 15.9107 7.55358 numMergedOcc 0
56 mol 186 unq 1 iso 0 dist 8.87694 9.09754 9.50685 6.85302 8.90184 4.37002 7.92653 15.8402 11.1051 8.87818 numMergedOcc 0
57 mol 186 unq 1 iso 1 dist 9.09754 8.87694 9.50685 6.85302 4.37002 8.90184 7.92653 11.1051 15.8402 8.87818 numMergedOcc 0
58 mol 186 unq 2 iso 0 dist 8.87694 9.09754 9.50685 9.98215 12.8303 4.64235 9.97575 15.9107 8.64409 7.60991 numMergedOcc 0
59 mol 186 unq 2 iso 1 dist 9.09754 8.87694 9.50685 9.98215 4.64235 12.8303 9.97575 8.64409 15.9107 7.60991 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 8.03442 10.2525 10.5813 11.0628 12.9778 8.38865 9.56257 numMergedOcc 0
61 mol 227 unq 0 iso 1 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 11.0628 8.38865 12.9778 9.56257 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 9.34734 8.65997 7.60506 8.03442 10.2525 7.22396 11.0628 12.9778 5.4694 9.56257 numMergedOcc 0
63 mol 227 unq 1 iso 1 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 11.0628 5.4694 12.9778 9.56257 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 9.34734 7.56888 7.43198 8.03442 10.2525 6.10296 11.0628 12.9778 13.9676 9.56257 numMergedOcc 0
65 mol 227 unq 2 iso 1 dist 7.56888 9.34734 7.43198 8.03442 6.10296 10.2525 11.0628 13.9676 12.9778 9.56257 numMergedOcc 0
66 mol 227 unq 3 iso 0 dist 9.34734 7.55216 9.51866 8.03442 10.2525 9.69537 11.0628 12.9778 16.9219 9.56257 numMergedOcc 0
67 mol 227 unq 3 iso 1 dist 7.55216 9.34734 9.51866 8.03442 9.69537 10.2525 11.0628 16.9219 12.9778 9.56257 numMergedOcc 0
68 mol 227 unq 4 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 10.5813 8.03442 12.2278 9.56257 numMergedOcc 0
69 mol 227 unq 4 iso 1 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 10.5813 12.2278 8.03442 9.56257 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 11.0628 8.38865 5.4694 9.56257 numMergedOcc 0
71 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 11.0628 5.4694 8.38865 9.56257 numMergedOcc 0
72 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 11.0628 8.38865 13.9676 9.56257 numMergedOcc 0
73 mol 227 unq 2 iso 1 dist 7.56888 7.22101 10.8658 8.03442 6.10296 10.5813 11.0628 13.9676 8.38865 9.56257 numMergedOcc 0
74 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 11.0628 8.38865 16.9219 9.56257 numMergedOcc 0
75 mol 227 unq 3 iso 1 dist 7.55216 7.22101 12.4689 8.03442 9.69537 10.5813 11.0628 16.9219 8.38865 9.56257 numMergedOcc 0
76 mol 227 unq 2 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 11.0628 5.4694 13.9676 9.56257 numMergedOcc 0
77 mol 227 unq 2 iso 1 dist 7.56888 8.65997 9.70012 8.03442 6.10296 7.22396 11.0628 13.9676 5.4694 9.56257 numMergedOcc 0
78 mol 227 unq 3 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 11.0628 5.4694 16.9219 9.56257 numMergedOcc 0
79 mol 227 unq 3 iso 1 dist 7.55216 8.65997 12.9332 8.03442 9.69537 7.22396 11.0628 16.9219 5.4694 9.56257 numMergedOcc 0
80 mol 227 unq 3 iso 0 dist 7.56888 7.55216 4.48529 8.03442 6.10296 9.69537 11.0628 13.9676 16.9219 9.56257 numMergedOcc 0
81 mol 227 unq 3 iso 1 dist 7.55216 7.56888 4.48529 8.03442 9.69537 6.10296 11.0628 16.9219 13.9676 9.56257 numMergedOcc 0
82 mol 252 unq 0 iso 0 dist 8.1148 8.1715 8.41807 6.53679 11.056 5.23748 6.28227 12.322 12.2615 8.55481 numMergedOcc 0
83 mol 252 unq 0 iso 1 dist 8.1715 8.1148 8.41807 6.53679 5.23748 11.056 6.28227 12.2615 12.322 8.55481 numMergedOcc 0
84 mol 252 unq 1 iso 0 dist 8.33025 9.2288 8.41807 7.50201 11.056 5.23748 5.25252 12.322 12.2615 8.55481 numMergedOcc 0
85 mol 252 unq 1 iso 1 dist 9.2288 8.33025 8.41807 7.50201 5.23748 11.056 5.25252 12.2615 12.322 8.55481 numMergedOcc 0
86 mol 252 unq 2 iso 0 dist 8.33025 7.19638 14.9102 7.50201 11.056 7.63376 5.25252 12.322 6.86945 8.55481 numMergedOcc 0
87 mol 252 unq 2 iso 1 dist 7.19638 8.33025 14.9102 7.50201 7.63376 11.056 5.25252 6.86945 12.322 8.55481 numMergedOcc 0
88 mol 252 unq 2 iso 0 dist 9.2288 7.19638 11.7918 7.50201 5.23748 7.63376 5.25252 12.2615 6.86945 8.55481 numMergedOcc 0
89 mol 252 unq 2 iso 1 dist 7.19638 9.2288 11.7918 7.50201 7.63376 5.23748 5.25252 6.86945 12.2615 8.55481 numMergedOcc 0
90 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 9.53063 6.6525 5.27959 7.42673 6.70815 7.99477 6.47194 numMergedOcc 0
91 mol 258 unq 0 iso 1 dist 6.42289 6.60405 7.26417 9.53063 5.27959 6.6525 7.42673 7.99477 6.70815 6.47194 numMergedOcc 0
