0 mol 14 unq 0 iso 0 dist 9.04767 9.7022 5.67201 9.58196 4.53725 5.53425 10.6873 9.58855 14.3883 10.3349 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 9.04767 9.58196 4.53725 9.7022 5.67201 5.53425 10.6873 9.58855 10.3349 14.3883 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.18512 6.92532 10.1882 6.36455 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.18512 6.92532 6.36455 10.1882 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.82074 8.4674 10.3915 4.54938 5.03957 7.67038 5.18512 6.36455 10.1882 6.92532 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 7.82074 4.54938 5.03957 8.4674 10.3915 7.67038 5.18512 6.36455 6.92532 10.1882 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.93915 5.89973 6.45462 5.48048 8.44903 10.0649 13.5072 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 5.73819 8.93915 5.89973 6.20293 5.06502 6.45462 5.48048 8.44903 13.5072 10.0649 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.33063 6.43294 10.1562 8.7531 7.29309 5.67502 9.62257 9.96399 10.0962 7.55695 numMergedOcc 0
9 mol 60 unq 0 iso 1 dist 8.33063 8.7531 7.29309 6.43294 10.1562 5.67502 9.62257 9.96399 7.55695 10.0962 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 9.62257 7.55695 9.96399 10.0962 numMergedOcc 0
11 mol 60 unq 1 iso 1 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 9.62257 7.55695 10.0962 9.96399 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 8.26458 7.04044 8.73253 10.3244 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 8.26458 7.04044 10.3244 8.73253 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 8.26458 8.73253 7.04044 10.3244 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 8.26458 8.73253 10.3244 7.04044 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 14.8866 8.85586 16.8706 18.0011 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 14.8866 8.85586 18.0011 16.8706 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 8.05119 7.11 12.4407 12.0613 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 8.05119 7.11 12.0613 12.4407 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.66905 10.7229 6.9948 5.08358 8.00777 7.1589 11.2808 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 7.95579 7.66905 10.7229 6.19965 4.26409 6.9948 5.08358 8.00777 11.2808 7.1589 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 5.08358 7.1589 8.00777 11.2808 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 5.08358 7.1589 11.2808 8.00777 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.121 7.33422 12.3486 14.9249 numMergedOcc 0
25 mol 85 unq 2 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 10.121 7.33422 14.9249 12.3486 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 14.9392 9.00544 17.8663 20.2183 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 14.9392 9.00544 20.2183 17.8663 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 12.6602 7.12017 12.6061 18.4011 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 12.6602 7.12017 18.4011 12.6061 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 14.9392 9.00544 17.8663 22.6977 numMergedOcc 0
31 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 14.9392 9.00544 22.6977 17.8663 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 12.6602 7.12017 12.6061 17.8494 numMergedOcc 0
33 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 12.6602 7.12017 17.8494 12.6061 numMergedOcc 0
34 mol 100 unq 2 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 14.9392 9.00544 20.2183 22.6977 numMergedOcc 0
35 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 14.9392 9.00544 22.6977 20.2183 numMergedOcc 0
36 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 12.6602 7.12017 18.4011 17.8494 numMergedOcc 0
37 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 12.6602 7.12017 17.8494 18.4011 numMergedOcc 0
38 mol 109 unq 0 iso 0 dist 8.58044 7.34473 7 9.97763 6.94915 8.40993 5.54205 8.89913 10.3189 13.2677 numMergedOcc 0
39 mol 109 unq 0 iso 1 dist 8.58044 9.97763 6.94915 7.34473 7 8.40993 5.54205 8.89913 13.2677 10.3189 numMergedOcc 0
40 mol 115 unq 0 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 7.21418 5.74857 10.0289 10.9766 numMergedOcc 0
41 mol 115 unq 0 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.21418 5.74857 10.9766 10.0289 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 6.85062 10.7062 6.63273 5.89022 8.86329 8.71039 11.6142 numMergedOcc 0
43 mol 131 unq 0 iso 1 dist 8.40312 6.85062 10.7062 7.12972 5.55373 6.63273 5.89022 8.86329 11.6142 8.71039 numMergedOcc 0
44 mol 131 unq 1 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 5.89022 8.71039 8.86329 11.6142 numMergedOcc 0
45 mol 131 unq 1 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 5.89022 8.71039 11.6142 8.86329 numMergedOcc 0
46 mol 131 unq 2 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 9.32969 6.92648 11.4206 9.29384 numMergedOcc 0
47 mol 131 unq 2 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 9.32969 6.92648 9.29384 11.4206 numMergedOcc 0
48 mol 131 unq 3 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.32969 9.29384 11.4206 6.92648 numMergedOcc 0
49 mol 131 unq 3 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.32969 9.29384 6.92648 11.4206 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 8.00618 11.965 7.79672 5.74088 6.76699 11.1595 10.5656 numMergedOcc 0
51 mol 133 unq 0 iso 1 dist 6.29155 8.00618 11.965 6.80239 7.81217 7.79672 5.74088 6.76699 10.5656 11.1595 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 9.4027 8.20836 10.873 13.846 numMergedOcc 0
53 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 9.4027 8.20836 13.846 10.873 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 8.46636 5.53031 13.9396 10.1537 numMergedOcc 0
55 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 8.46636 5.53031 10.1537 13.9396 numMergedOcc 0
56 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 5.59336 8.35555 10.4911 13.0858 numMergedOcc 0
57 mol 152 unq 0 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 5.59336 8.35555 13.0858 10.4911 numMergedOcc 0
58 mol 152 unq 1 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 10.9728 8.35555 10.4911 13.0858 numMergedOcc 0
59 mol 152 unq 1 iso 1 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 10.9728 8.35555 13.0858 10.4911 numMergedOcc 0
60 mol 152 unq 2 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 9.35627 9.77552 8.28642 13.1536 numMergedOcc 0
61 mol 152 unq 2 iso 1 dist 8.56324 7.16148 10.6875 6.70283 7.65448 5.49936 9.35627 9.77552 13.1536 8.28642 numMergedOcc 0
62 mol 152 unq 3 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 9.35627 8.28642 9.77552 13.1536 numMergedOcc 0
63 mol 152 unq 3 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 9.35627 8.28642 13.1536 9.77552 numMergedOcc 0
64 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 8.33171 6.56229 5.64555 6.44255 9.43259 11.1392 12.8935 numMergedOcc 0
65 mol 156 unq 0 iso 1 dist 8.34702 8.33171 6.56229 9.06726 6.31306 5.64555 6.44255 9.43259 12.8935 11.1392 numMergedOcc 0
66 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 8.33171 6.56229 5.64555 5.82636 6.2319 9.97732 10.5243 numMergedOcc 0
67 mol 156 unq 1 iso 1 dist 8.34702 8.33171 6.56229 9.06726 6.31306 5.64555 5.82636 6.2319 10.5243 9.97732 numMergedOcc 0
68 mol 156 unq 2 iso 0 dist 9.06726 8.34702 6.31306 8.33171 5.64555 6.56229 5.82636 9.97732 6.2319 10.5243 numMergedOcc 0
69 mol 156 unq 2 iso 1 dist 9.06726 8.33171 5.64555 8.34702 6.31306 6.56229 5.82636 9.97732 10.5243 6.2319 numMergedOcc 0
70 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 8.87694 5.74635 14.9058 8.90184 7.20574 18.0414 6.85302 numMergedOcc 0
71 mol 186 unq 0 iso 1 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 8.90184 7.20574 6.85302 18.0414 numMergedOcc 0
72 mol 186 unq 1 iso 0 dist 8.87694 9.70748 14.9058 7.54065 5.74635 13.8792 8.90184 6.85302 18.0414 7.20574 numMergedOcc 0
73 mol 186 unq 1 iso 1 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 8.90184 6.85302 7.20574 18.0414 numMergedOcc 0
74 mol 186 unq 2 iso 0 dist 8.87694 9.70748 14.9058 7.54065 5.74635 13.8792 12.8303 9.98215 20.9635 13.6209 numMergedOcc 0
75 mol 186 unq 2 iso 1 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 12.8303 9.98215 13.6209 20.9635 numMergedOcc 0
76 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 7.80463 8.18714 13.8543 5.28092 8.44861 5.60393 11.3521 numMergedOcc 0
77 mol 205 unq 0 iso 1 dist 6.03031 7.80463 8.18714 7.26832 7.38516 13.8543 5.28092 8.44861 11.3521 5.60393 numMergedOcc 0
78 mol 205 unq 1 iso 0 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 5.28092 5.60393 8.44861 11.3521 numMergedOcc 0
79 mol 205 unq 1 iso 1 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 5.28092 5.60393 11.3521 8.44861 numMergedOcc 0
80 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 11.0628 8.38865 12.9778 5.4694 numMergedOcc 0
81 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 11.0628 8.38865 5.4694 12.9778 numMergedOcc 0
82 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 11.0628 8.38865 12.9778 13.9676 numMergedOcc 0
83 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 11.0628 8.38865 13.9676 12.9778 numMergedOcc 0
84 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 11.0628 8.38865 12.9778 16.9219 numMergedOcc 0
85 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 11.0628 8.38865 16.9219 12.9778 numMergedOcc 0
86 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 11.0628 8.38865 5.4694 13.9676 numMergedOcc 0
87 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 11.0628 8.38865 13.9676 5.4694 numMergedOcc 0
88 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 11.0628 8.38865 5.4694 16.9219 numMergedOcc 0
89 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 11.0628 8.38865 16.9219 5.4694 numMergedOcc 0
90 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 11.0628 8.38865 13.9676 16.9219 numMergedOcc 0
91 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 11.0628 8.38865 16.9219 13.9676 numMergedOcc 0
92 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 11.0628 5.4694 12.9778 8.38865 numMergedOcc 0
93 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 11.0628 5.4694 8.38865 12.9778 numMergedOcc 0
94 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 11.0628 5.4694 12.9778 13.9676 numMergedOcc 0
95 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 11.0628 5.4694 13.9676 12.9778 numMergedOcc 0
96 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 11.0628 5.4694 12.9778 16.9219 numMergedOcc 0
97 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 11.0628 5.4694 16.9219 12.9778 numMergedOcc 0
98 mol 227 unq 4 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 11.0628 5.4694 8.38865 13.9676 numMergedOcc 0
99 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 11.0628 5.4694 13.9676 8.38865 numMergedOcc 0
100 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 11.0628 5.4694 8.38865 16.9219 numMergedOcc 0
101 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 11.0628 5.4694 16.9219 8.38865 numMergedOcc 0
102 mol 227 unq 5 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 11.0628 5.4694 13.9676 16.9219 numMergedOcc 0
103 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 11.0628 5.4694 16.9219 13.9676 numMergedOcc 0
104 mol 227 unq 6 iso 0 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 10.6244 5.87815 13.9889 16.0894 numMergedOcc 0
105 mol 227 unq 6 iso 1 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 10.6244 5.87815 16.0894 13.9889 numMergedOcc 0
106 mol 227 unq 7 iso 0 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 10.6244 5.87815 13.9889 17.8603 numMergedOcc 0
107 mol 227 unq 7 iso 1 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 10.6244 5.87815 17.8603 13.9889 numMergedOcc 0
108 mol 227 unq 8 iso 0 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 10.6244 5.87815 13.9889 10.3595 numMergedOcc 0
109 mol 227 unq 8 iso 1 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 10.6244 5.87815 10.3595 13.9889 numMergedOcc 0
110 mol 227 unq 7 iso 0 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 10.6244 5.87815 16.0894 17.8603 numMergedOcc 0
111 mol 227 unq 7 iso 1 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 10.6244 5.87815 17.8603 16.0894 numMergedOcc 0
112 mol 227 unq 8 iso 0 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 10.6244 5.87815 16.0894 10.3595 numMergedOcc 0
113 mol 227 unq 8 iso 1 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 10.6244 5.87815 10.3595 16.0894 numMergedOcc 0
114 mol 227 unq 8 iso 0 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 10.6244 5.87815 17.8603 10.3595 numMergedOcc 0
115 mol 227 unq 8 iso 1 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 10.6244 5.87815 10.3595 17.8603 numMergedOcc 0
116 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 8.2965 10.8081 5.86196 5.99459 6.17052 9.77666 13.0539 numMergedOcc 0
117 mol 248 unq 0 iso 1 dist 7.69895 8.2965 10.8081 7.21521 5.55137 5.86196 5.99459 6.17052 13.0539 9.77666 numMergedOcc 0
118 mol 248 unq 1 iso 0 dist 7.21521 7.69895 5.55137 8.2965 5.86196 10.8081 5.99459 9.77666 6.17052 13.0539 numMergedOcc 0
119 mol 248 unq 1 iso 1 dist 7.21521 8.2965 5.86196 7.69895 5.55137 10.8081 5.99459 9.77666 13.0539 6.17052 numMergedOcc 0
120 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 5.25252 6.86945 12.322 12.2615 numMergedOcc 0
121 mol 252 unq 0 iso 1 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 5.25252 6.86945 12.2615 12.322 numMergedOcc 0
122 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 5.60748 8.55558 10.5803 12.4037 numMergedOcc 0
123 mol 259 unq 0 iso 1 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 5.60748 8.55558 12.4037 10.5803 numMergedOcc 0
124 mol 259 unq 1 iso 0 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 5.60748 8.55558 10.5803 14.4498 numMergedOcc 0
125 mol 259 unq 1 iso 1 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 5.60748 8.55558 14.4498 10.5803 numMergedOcc 0
126 mol 259 unq 1 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 5.60748 8.55558 12.4037 14.4498 numMergedOcc 0
127 mol 259 unq 1 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 5.60748 8.55558 14.4498 12.4037 numMergedOcc 0
