0 mol 130 unq 0 iso 0 dist 9.03277 5.72266 6.79146 5.96312 7.66168 7.01619 10.2401 8.9677 4.66904 11.1455 numMergedOcc 0
1 mol 130 unq 0 iso 1 dist 9.03277 5.96312 7.66168 5.72266 6.79146 7.01619 10.2401 8.9677 11.1455 4.66904 numMergedOcc 0
2 mol 130 unq 1 iso 0 dist 9.03277 5.72266 6.79146 10.8983 6.89257 6.83397 10.2401 8.9677 4.66904 7.52422 numMergedOcc 0
3 mol 130 unq 1 iso 1 dist 9.03277 10.8983 6.89257 5.72266 6.79146 6.83397 10.2401 8.9677 7.52422 4.66904 numMergedOcc 0
4 mol 130 unq 1 iso 0 dist 9.03277 5.96312 7.66168 10.8983 6.89257 7.50049 10.2401 8.9677 11.1455 7.52422 numMergedOcc 0
5 mol 130 unq 1 iso 1 dist 9.03277 10.8983 6.89257 5.96312 7.66168 7.50049 10.2401 8.9677 7.52422 11.1455 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.33489 15.8885 8.94837 10.3334 7.77454 7.93571 4.56331 5.52149 11.5407 5.91192 numMergedOcc 0
7 mol 134 unq 0 iso 1 dist 8.33489 10.3334 7.77454 15.8885 8.94837 7.93571 4.56331 5.52149 5.91192 11.5407 numMergedOcc 0
8 mol 173 unq 0 iso 0 dist 9.25763 15.2665 7.93331 12.006 6.98095 4.83994 10.1842 8.62366 12.4131 12.5815 numMergedOcc 0
9 mol 173 unq 0 iso 1 dist 9.25763 12.006 6.98095 15.2665 7.93331 4.83994 10.1842 8.62366 12.5815 12.4131 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 9.25763 15.2665 7.93331 12.006 6.98095 4.83994 12.4786 9.44973 8.85462 9.65654 numMergedOcc 0
11 mol 173 unq 1 iso 1 dist 9.25763 12.006 6.98095 15.2665 7.93331 4.83994 12.4786 9.44973 9.65654 8.85462 numMergedOcc 0
12 mol 173 unq 2 iso 0 dist 9.25763 15.2665 7.93331 12.006 6.98095 4.83994 13.8624 6.52508 6.91529 9.44845 numMergedOcc 0
13 mol 173 unq 2 iso 1 dist 9.25763 12.006 6.98095 15.2665 7.93331 4.83994 13.8624 6.52508 9.44845 6.91529 numMergedOcc 0
14 mol 173 unq 3 iso 0 dist 9.25763 15.2665 7.93331 14.7376 8.31897 5.16343 10.1842 8.62366 12.4131 8.63452 numMergedOcc 0
15 mol 173 unq 3 iso 1 dist 9.25763 14.7376 8.31897 15.2665 7.93331 5.16343 10.1842 8.62366 8.63452 12.4131 numMergedOcc 0
16 mol 173 unq 4 iso 0 dist 9.25763 15.2665 7.93331 14.7376 8.31897 5.16343 12.4786 9.44973 8.85462 4.83786 numMergedOcc 0
17 mol 173 unq 4 iso 1 dist 9.25763 14.7376 8.31897 15.2665 7.93331 5.16343 12.4786 9.44973 4.83786 8.85462 numMergedOcc 0
18 mol 173 unq 5 iso 0 dist 9.25763 15.2665 7.93331 14.7376 8.31897 5.16343 13.8624 6.52508 6.91529 3.74688 numMergedOcc 0
19 mol 173 unq 5 iso 1 dist 9.25763 14.7376 8.31897 15.2665 7.93331 5.16343 13.8624 6.52508 3.74688 6.91529 numMergedOcc 0
20 mol 173 unq 3 iso 0 dist 9.25763 12.006 6.98095 14.7376 8.31897 8.17887 10.1842 8.62366 12.5815 8.63452 numMergedOcc 0
21 mol 173 unq 3 iso 1 dist 9.25763 14.7376 8.31897 12.006 6.98095 8.17887 10.1842 8.62366 8.63452 12.5815 numMergedOcc 0
22 mol 173 unq 4 iso 0 dist 9.25763 12.006 6.98095 14.7376 8.31897 8.17887 12.4786 9.44973 9.65654 4.83786 numMergedOcc 0
23 mol 173 unq 4 iso 1 dist 9.25763 14.7376 8.31897 12.006 6.98095 8.17887 12.4786 9.44973 4.83786 9.65654 numMergedOcc 0
24 mol 173 unq 5 iso 0 dist 9.25763 12.006 6.98095 14.7376 8.31897 8.17887 13.8624 6.52508 9.44845 3.74688 numMergedOcc 0
25 mol 173 unq 5 iso 1 dist 9.25763 14.7376 8.31897 12.006 6.98095 8.17887 13.8624 6.52508 3.74688 9.44845 numMergedOcc 0
26 mol 173 unq 6 iso 0 dist 9.63102 14.1226 7.93331 11.6705 6.98095 4.83994 7.24163 8.62366 12.4131 12.5815 numMergedOcc 0
27 mol 173 unq 6 iso 1 dist 9.63102 11.6705 6.98095 14.1226 7.93331 4.83994 7.24163 8.62366 12.5815 12.4131 numMergedOcc 0
28 mol 173 unq 7 iso 0 dist 9.63102 14.1226 7.93331 11.6705 6.98095 4.83994 8.98989 9.44973 8.85462 9.65654 numMergedOcc 0
29 mol 173 unq 7 iso 1 dist 9.63102 11.6705 6.98095 14.1226 7.93331 4.83994 8.98989 9.44973 9.65654 8.85462 numMergedOcc 0
30 mol 173 unq 8 iso 0 dist 9.63102 14.1226 7.93331 11.6705 6.98095 4.83994 12.0865 6.52508 6.91529 9.44845 numMergedOcc 0
31 mol 173 unq 8 iso 1 dist 9.63102 11.6705 6.98095 14.1226 7.93331 4.83994 12.0865 6.52508 9.44845 6.91529 numMergedOcc 0
32 mol 173 unq 9 iso 0 dist 9.63102 14.1226 7.93331 12.3698 8.31897 5.16343 7.24163 8.62366 12.4131 8.63452 numMergedOcc 0
33 mol 173 unq 9 iso 1 dist 9.63102 12.3698 8.31897 14.1226 7.93331 5.16343 7.24163 8.62366 8.63452 12.4131 numMergedOcc 0
34 mol 173 unq 10 iso 0 dist 9.63102 14.1226 7.93331 12.3698 8.31897 5.16343 8.98989 9.44973 8.85462 4.83786 numMergedOcc 0
35 mol 173 unq 10 iso 1 dist 9.63102 12.3698 8.31897 14.1226 7.93331 5.16343 8.98989 9.44973 4.83786 8.85462 numMergedOcc 0
36 mol 173 unq 11 iso 0 dist 9.63102 14.1226 7.93331 12.3698 8.31897 5.16343 12.0865 6.52508 6.91529 3.74688 numMergedOcc 0
37 mol 173 unq 11 iso 1 dist 9.63102 12.3698 8.31897 14.1226 7.93331 5.16343 12.0865 6.52508 3.74688 6.91529 numMergedOcc 0
38 mol 173 unq 9 iso 0 dist 9.63102 11.6705 6.98095 12.3698 8.31897 8.17887 7.24163 8.62366 12.5815 8.63452 numMergedOcc 0
39 mol 173 unq 9 iso 1 dist 9.63102 12.3698 8.31897 11.6705 6.98095 8.17887 7.24163 8.62366 8.63452 12.5815 numMergedOcc 0
40 mol 173 unq 10 iso 0 dist 9.63102 11.6705 6.98095 12.3698 8.31897 8.17887 8.98989 9.44973 9.65654 4.83786 numMergedOcc 0
41 mol 173 unq 10 iso 1 dist 9.63102 12.3698 8.31897 11.6705 6.98095 8.17887 8.98989 9.44973 4.83786 9.65654 numMergedOcc 0
42 mol 173 unq 11 iso 0 dist 9.63102 11.6705 6.98095 12.3698 8.31897 8.17887 12.0865 6.52508 9.44845 3.74688 numMergedOcc 0
43 mol 173 unq 11 iso 1 dist 9.63102 12.3698 8.31897 11.6705 6.98095 8.17887 12.0865 6.52508 3.74688 9.44845 numMergedOcc 0
44 mol 184 unq 0 iso 0 dist 5.59438 9.56234 9.52936 6.87845 9.15417 5.43299 7.12599 7.59939 13.8904 10.3179 numMergedOcc 0
45 mol 184 unq 0 iso 1 dist 5.59438 6.87845 9.15417 9.56234 9.52936 5.43299 7.12599 7.59939 10.3179 13.8904 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 6.35728 10.644 7.46831 4.82712 8.60247 10.3105 4.112 8.70987 11.1534 7.19184 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 6.35728 4.82712 8.60247 10.644 7.46831 10.3105 4.112 8.70987 7.19184 11.1534 numMergedOcc 0
48 mol 227 unq 0 iso 0 dist 8.34104 14.9329 8.17891 13.2783 6.95902 5.22356 15.7465 7.79951 4.1511 4.69247 numMergedOcc 0
49 mol 227 unq 0 iso 1 dist 8.34104 13.2783 6.95902 14.9329 8.17891 5.22356 15.7465 7.79951 4.69247 4.1511 numMergedOcc 0
50 mol 228 unq 0 iso 0 dist 9.58356 6.29965 8.06181 10.5936 8.38048 5.43096 14.5198 7.84881 9.3302 6.49596 numMergedOcc 0
51 mol 228 unq 0 iso 1 dist 9.58356 10.5936 8.38048 6.29965 8.06181 5.43096 14.5198 7.84881 6.49596 9.3302 numMergedOcc 0
52 mol 228 unq 1 iso 0 dist 9.58356 6.29965 8.06181 14.6816 7.65132 11.1899 14.5198 7.84881 9.3302 6.30327 numMergedOcc 0
53 mol 228 unq 1 iso 1 dist 9.58356 14.6816 7.65132 6.29965 8.06181 11.1899 14.5198 7.84881 6.30327 9.3302 numMergedOcc 0
54 mol 228 unq 2 iso 0 dist 9.58356 6.29965 8.06181 6.01863 8.53764 5.93014 14.5198 7.84881 9.3302 11.9013 numMergedOcc 0
55 mol 228 unq 2 iso 1 dist 9.58356 6.01863 8.53764 6.29965 8.06181 5.93014 14.5198 7.84881 11.9013 9.3302 numMergedOcc 0
56 mol 228 unq 1 iso 0 dist 9.58356 10.5936 8.38048 14.6816 7.65132 7.09673 14.5198 7.84881 6.49596 6.30327 numMergedOcc 0
57 mol 228 unq 1 iso 1 dist 9.58356 14.6816 7.65132 10.5936 8.38048 7.09673 14.5198 7.84881 6.30327 6.49596 numMergedOcc 0
58 mol 228 unq 2 iso 0 dist 9.58356 10.5936 8.38048 6.01863 8.53764 6.61579 14.5198 7.84881 6.49596 11.9013 numMergedOcc 0
59 mol 228 unq 2 iso 1 dist 9.58356 6.01863 8.53764 10.5936 8.38048 6.61579 14.5198 7.84881 11.9013 6.49596 numMergedOcc 0
60 mol 228 unq 2 iso 0 dist 9.58356 14.6816 7.65132 6.01863 8.53764 10.2985 14.5198 7.84881 6.30327 11.9013 numMergedOcc 0
61 mol 228 unq 2 iso 1 dist 9.58356 6.01863 8.53764 14.6816 7.65132 10.2985 14.5198 7.84881 11.9013 6.30327 numMergedOcc 0
62 mol 228 unq 3 iso 0 dist 9.29522 6.30523 7.77367 10.5683 8.20909 5.42695 14.5737 7.86746 9.39743 6.65033 numMergedOcc 0
63 mol 228 unq 3 iso 1 dist 9.29522 10.5683 8.20909 6.30523 7.77367 5.42695 14.5737 7.86746 6.65033 9.39743 numMergedOcc 0
64 mol 228 unq 4 iso 0 dist 9.29522 6.30523 7.77367 14.9669 7.94506 11.3702 14.5737 7.86746 9.39743 6.19376 numMergedOcc 0
65 mol 228 unq 4 iso 1 dist 9.29522 14.9669 7.94506 6.30523 7.77367 11.3702 14.5737 7.86746 6.19376 9.39743 numMergedOcc 0
66 mol 228 unq 5 iso 0 dist 9.29522 6.30523 7.77367 6.21036 8.15494 6.001 14.5737 7.86746 9.39743 11.8243 numMergedOcc 0
67 mol 228 unq 5 iso 1 dist 9.29522 6.21036 8.15494 6.30523 7.77367 6.001 14.5737 7.86746 11.8243 9.39743 numMergedOcc 0
68 mol 228 unq 4 iso 0 dist 9.29522 10.5683 8.20909 14.9669 7.94506 7.22215 14.5737 7.86746 6.65033 6.19376 numMergedOcc 0
69 mol 228 unq 4 iso 1 dist 9.29522 14.9669 7.94506 10.5683 8.20909 7.22215 14.5737 7.86746 6.19376 6.65033 numMergedOcc 0
70 mol 228 unq 5 iso 0 dist 9.29522 10.5683 8.20909 6.21036 8.15494 6.44695 14.5737 7.86746 6.65033 11.8243 numMergedOcc 0
71 mol 228 unq 5 iso 1 dist 9.29522 6.21036 8.15494 10.5683 8.20909 6.44695 14.5737 7.86746 11.8243 6.65033 numMergedOcc 0
72 mol 228 unq 5 iso 0 dist 9.29522 14.9669 7.94506 6.21036 8.15494 10.3635 14.5737 7.86746 6.19376 11.8243 numMergedOcc 0
73 mol 228 unq 5 iso 1 dist 9.29522 6.21036 8.15494 14.9669 7.94506 10.3635 14.5737 7.86746 11.8243 6.19376 numMergedOcc 0
74 mol 235 unq 0 iso 0 dist 8.60471 5.47633 9.58736 10.2835 9.43058 9.85037 13.3458 7.02029 13.7306 7.31605 numMergedOcc 0
75 mol 235 unq 0 iso 1 dist 8.60471 10.2835 9.43058 5.47633 9.58736 9.85037 13.3458 7.02029 7.31605 13.7306 numMergedOcc 0
76 mol 235 unq 1 iso 0 dist 8.60471 5.47633 9.58736 12.4425 8.75735 13.6669 13.3458 7.02029 13.7306 4.12497 numMergedOcc 0
77 mol 235 unq 1 iso 1 dist 8.60471 12.4425 8.75735 5.47633 9.58736 13.6669 13.3458 7.02029 4.12497 13.7306 numMergedOcc 0
78 mol 235 unq 2 iso 0 dist 8.60471 5.47633 9.58736 15.2767 6.98084 16.4493 13.3458 7.02029 13.7306 8.26028 numMergedOcc 0
79 mol 235 unq 2 iso 1 dist 8.60471 15.2767 6.98084 5.47633 9.58736 16.4493 13.3458 7.02029 8.26028 13.7306 numMergedOcc 0
80 mol 235 unq 3 iso 0 dist 8.60471 5.47633 9.58736 11.9322 7.32211 15.4 13.3458 7.02029 13.7306 10.7187 numMergedOcc 0
81 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 5.47633 9.58736 15.4 13.3458 7.02029 10.7187 13.7306 numMergedOcc 0
82 mol 235 unq 1 iso 0 dist 8.60471 10.2835 9.43058 12.4425 8.75735 5.52217 13.3458 7.02029 7.31605 4.12497 numMergedOcc 0
83 mol 235 unq 1 iso 1 dist 8.60471 12.4425 8.75735 10.2835 9.43058 5.52217 13.3458 7.02029 4.12497 7.31605 numMergedOcc 0
84 mol 235 unq 2 iso 0 dist 8.60471 10.2835 9.43058 15.2767 6.98084 14.4362 13.3458 7.02029 7.31605 8.26028 numMergedOcc 0
85 mol 235 unq 2 iso 1 dist 8.60471 15.2767 6.98084 10.2835 9.43058 14.4362 13.3458 7.02029 8.26028 7.31605 numMergedOcc 0
86 mol 235 unq 3 iso 0 dist 8.60471 10.2835 9.43058 11.9322 7.32211 14.4107 13.3458 7.02029 7.31605 10.7187 numMergedOcc 0
87 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 10.2835 9.43058 14.4107 13.3458 7.02029 10.7187 7.31605 numMergedOcc 0
88 mol 235 unq 2 iso 0 dist 8.60471 12.4425 8.75735 15.2767 6.98084 11.3519 13.3458 7.02029 4.12497 8.26028 numMergedOcc 0
89 mol 235 unq 2 iso 1 dist 8.60471 15.2767 6.98084 12.4425 8.75735 11.3519 13.3458 7.02029 8.26028 4.12497 numMergedOcc 0
90 mol 235 unq 3 iso 0 dist 8.60471 12.4425 8.75735 11.9322 7.32211 11.3789 13.3458 7.02029 4.12497 10.7187 numMergedOcc 0
91 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 12.4425 8.75735 11.3789 13.3458 7.02029 10.7187 4.12497 numMergedOcc 0
92 mol 235 unq 3 iso 0 dist 8.60471 15.2767 6.98084 11.9322 7.32211 7.218 13.3458 7.02029 8.26028 10.7187 numMergedOcc 0
93 mol 235 unq 3 iso 1 dist 8.60471 11.9322 7.32211 15.2767 6.98084 7.218 13.3458 7.02029 10.7187 8.26028 numMergedOcc 0
94 mol 238 unq 0 iso 0 dist 8.61709 5.79022 6.05141 10.8459 8.09066 5.6348 10.5939 8.69525 5.27215 6.13368 numMergedOcc 0
95 mol 238 unq 0 iso 1 dist 8.61709 10.8459 8.09066 5.79022 6.05141 5.6348 10.5939 8.69525 6.13368 5.27215 numMergedOcc 0
96 mol 238 unq 1 iso 0 dist 8.61709 5.79022 6.05141 13.1103 7.2766 8.87326 10.5939 8.69525 5.27215 10.0605 numMergedOcc 0
97 mol 238 unq 1 iso 1 dist 8.61709 13.1103 7.2766 5.79022 6.05141 8.87326 10.5939 8.69525 10.0605 5.27215 numMergedOcc 0
98 mol 238 unq 1 iso 0 dist 8.61709 10.8459 8.09066 13.1103 7.2766 5.31152 10.5939 8.69525 6.13368 10.0605 numMergedOcc 0
99 mol 238 unq 1 iso 1 dist 8.61709 13.1103 7.2766 10.8459 8.09066 5.31152 10.5939 8.69525 10.0605 6.13368 numMergedOcc 0
100 mol 282 unq 0 iso 0 dist 5.2527 4.85461 6.85028 8.85797 7.32347 5.39891 6.51505 7.52924 4.57104 5.29852 numMergedOcc 0
101 mol 282 unq 0 iso 1 dist 5.2527 8.85797 7.32347 4.85461 6.85028 5.39891 6.51505 7.52924 5.29852 4.57104 numMergedOcc 0
102 mol 282 unq 1 iso 0 dist 5.2527 4.85461 6.85028 5.43514 8.3411 7.76539 6.51505 7.52924 4.57104 5.80572 numMergedOcc 0
103 mol 282 unq 1 iso 1 dist 5.2527 5.43514 8.3411 4.85461 6.85028 7.76539 6.51505 7.52924 5.80572 4.57104 numMergedOcc 0
104 mol 282 unq 1 iso 0 dist 5.2527 8.85797 7.32347 5.43514 8.3411 10.5372 6.51505 7.52924 5.29852 5.80572 numMergedOcc 0
105 mol 282 unq 1 iso 1 dist 5.2527 5.43514 8.3411 8.85797 7.32347 10.5372 6.51505 7.52924 5.80572 5.29852 numMergedOcc 0
