0 mol 45 unq 0 iso 0 dist 7.06308 5.24762 6.34173 9.01651 8.59109 6.89191 14.3965 14.5783 14.4997 8.13782 numMergedOcc 0
1 mol 45 unq 0 iso 1 dist 6.34173 5.24762 7.06308 6.89191 8.59109 9.01651 14.4997 14.5783 14.3965 8.13782 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 7.06308 5.48601 9.43442 9.01651 8.59109 5.54436 14.3965 14.5783 11.2545 8.13782 numMergedOcc 0
3 mol 45 unq 1 iso 1 dist 9.43442 5.48601 7.06308 5.54436 8.59109 9.01651 11.2545 14.5783 14.3965 8.13782 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.34173 5.101 9.43442 6.89191 8.59109 5.54436 14.4997 14.5783 11.2545 8.13782 numMergedOcc 0
5 mol 45 unq 1 iso 1 dist 9.43442 5.101 6.34173 5.54436 8.59109 6.89191 11.2545 14.5783 14.4997 8.13782 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 6.99408 6.11102 9.3403 7.39653 8.13782 10.6095 15.6951 14.5783 19.075 8.59109 numMergedOcc 0
7 mol 45 unq 2 iso 1 dist 9.3403 6.11102 6.99408 10.6095 8.13782 7.39653 19.075 14.5783 15.6951 8.59109 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.33535 7.08557 8.26899 6.78077 8.80108 6.75888 10.8928 7.57085 11.3177 6.50297 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 8.26899 7.08557 9.33535 6.75888 8.80108 6.78077 11.3177 7.57085 10.8928 6.50297 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.40841 11.0466 7.58407 5.64209 6.50297 8.74789 10.9482 6.44201 6.46761 6.96494 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 7.58407 11.0466 6.40841 8.74789 6.50297 5.64209 6.46761 6.44201 10.9482 6.96494 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 6.40841 5.90225 6.31428 5.64209 6.50297 7.02095 10.9482 6.44201 9.73139 6.96494 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 6.31428 5.90225 6.40841 7.02095 6.50297 5.64209 9.73139 6.44201 10.9482 6.96494 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 8.63333 5.35073 8.89374 10.6476 6.96494 12.7331 14.2147 6.44201 14.3086 6.50297 numMergedOcc 0
15 mol 58 unq 3 iso 1 dist 8.89374 5.35073 8.63333 12.7331 6.96494 10.6476 14.3086 6.44201 14.2147 6.50297 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 8.63333 10.8153 6.46761 10.6476 6.96494 8.74789 14.2147 6.44201 7.58407 6.50297 numMergedOcc 0
17 mol 58 unq 4 iso 1 dist 6.46761 10.8153 8.63333 8.74789 6.96494 10.6476 7.58407 6.44201 14.2147 6.50297 numMergedOcc 0
18 mol 58 unq 5 iso 0 dist 8.63333 14.5953 9.73139 10.6476 6.96494 7.02095 14.2147 6.44201 6.31428 6.50297 numMergedOcc 0
19 mol 58 unq 5 iso 1 dist 9.73139 14.5953 8.63333 7.02095 6.96494 10.6476 6.31428 6.44201 14.2147 6.50297 numMergedOcc 0
20 mol 58 unq 4 iso 0 dist 8.89374 8.62958 6.46761 12.7331 6.96494 8.74789 14.3086 6.44201 7.58407 6.50297 numMergedOcc 0
21 mol 58 unq 4 iso 1 dist 6.46761 8.62958 8.89374 8.74789 6.96494 12.7331 7.58407 6.44201 14.3086 6.50297 numMergedOcc 0
22 mol 58 unq 5 iso 0 dist 8.89374 14.176 9.73139 12.7331 6.96494 7.02095 14.3086 6.44201 6.31428 6.50297 numMergedOcc 0
23 mol 58 unq 5 iso 1 dist 9.73139 14.176 8.89374 7.02095 6.96494 12.7331 6.31428 6.44201 14.3086 6.50297 numMergedOcc 0
24 mol 58 unq 5 iso 0 dist 6.46761 6.47414 9.73139 8.74789 6.96494 7.02095 7.58407 6.44201 6.31428 6.50297 numMergedOcc 0
25 mol 58 unq 5 iso 1 dist 9.73139 6.47414 6.46761 7.02095 6.96494 8.74789 6.31428 6.44201 7.58407 6.50297 numMergedOcc 0
26 mol 58 unq 2 iso 0 dist 7.58407 6.47414 6.31428 8.74789 6.50297 7.02095 6.46761 6.44201 9.73139 6.96494 numMergedOcc 0
27 mol 58 unq 2 iso 1 dist 6.31428 6.47414 7.58407 7.02095 6.50297 8.74789 9.73139 6.44201 6.46761 6.96494 numMergedOcc 0
28 mol 72 unq 0 iso 0 dist 8.624 5.36766 6.77912 6.00418 9.19459 9.0131 10.0983 4.64409 10.4676 8.59747 numMergedOcc 0
29 mol 72 unq 0 iso 1 dist 6.77912 5.36766 8.624 9.0131 9.19459 6.00418 10.4676 4.64409 10.0983 8.59747 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 6.93652 5.67306 9.54444 7.57216 6.2135 6.96143 15.487 10.8776 15.384 8.55681 numMergedOcc 0
31 mol 141 unq 0 iso 1 dist 9.54444 5.67306 6.93652 6.96143 6.2135 7.57216 15.384 10.8776 15.487 8.55681 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 9.17284 10.6882 9.87281 6.3845 6.51096 5.48883 13.2459 6.0706 8.27111 8.73171 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 9.87281 10.6882 9.17284 5.48883 6.51096 6.3845 8.27111 6.0706 13.2459 8.73171 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 9.17284 12.1545 8.87452 6.3845 6.51096 5.77564 13.2459 6.0706 7.68368 8.73171 numMergedOcc 0
35 mol 155 unq 1 iso 1 dist 8.87452 12.1545 9.17284 5.77564 6.51096 6.3845 7.68368 6.0706 13.2459 8.73171 numMergedOcc 0
36 mol 155 unq 1 iso 0 dist 9.87281 4.66274 8.87452 5.48883 6.51096 5.77564 8.27111 6.0706 7.68368 8.73171 numMergedOcc 0
37 mol 155 unq 1 iso 1 dist 8.87452 4.66274 9.87281 5.77564 6.51096 5.48883 7.68368 6.0706 8.27111 8.73171 numMergedOcc 0
38 mol 155 unq 2 iso 0 dist 8.27111 4.66274 7.68368 5.48883 8.73171 5.77564 9.87281 6.0706 8.87452 6.51096 numMergedOcc 0
39 mol 155 unq 2 iso 1 dist 7.68368 4.66274 8.27111 5.77564 8.73171 5.48883 8.87452 6.0706 9.87281 6.51096 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 8.45368 13.7995 9.59129 11.1059 8.74171 12.2579 14.1277 7.39803 12.5357 6.85195 numMergedOcc 0
41 mol 213 unq 0 iso 1 dist 9.59129 13.7995 8.45368 12.2579 8.74171 11.1059 12.5357 7.39803 14.1277 6.85195 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 6.67585 4.70378 6.65984 7.98696 9.47554 7.12232 7.06793 6.88258 10.0414 8.89778 numMergedOcc 0
43 mol 224 unq 0 iso 1 dist 6.65984 4.70378 6.67585 7.12232 9.47554 7.98696 10.0414 6.88258 7.06793 8.89778 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 8.17891 5.22356 6.95902 13.3557 7.95168 8.8709 13.4493 8.55671 9.62609 6.152 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 8.8709 7.95168 13.3557 9.62609 8.55671 13.4493 6.152 numMergedOcc 0
46 mol 228 unq 0 iso 0 dist 8.06181 5.43096 8.38048 4.81881 8.37287 6.5952 9.42615 8.57673 12.7909 7.46689 numMergedOcc 0
47 mol 228 unq 0 iso 1 dist 8.38048 5.43096 8.06181 6.5952 8.37287 4.81881 12.7909 8.57673 9.42615 7.46689 numMergedOcc 0
48 mol 228 unq 1 iso 0 dist 8.06181 11.1899 7.65132 4.81881 8.37287 11.1604 9.42615 8.57673 14.9859 7.46689 numMergedOcc 0
49 mol 228 unq 1 iso 1 dist 7.65132 11.1899 8.06181 11.1604 8.37287 4.81881 14.9859 8.57673 9.42615 7.46689 numMergedOcc 0
50 mol 228 unq 2 iso 0 dist 8.06181 5.93014 8.53764 4.81881 8.37287 10.1917 9.42615 8.57673 13.6165 7.46689 numMergedOcc 0
51 mol 228 unq 2 iso 1 dist 8.53764 5.93014 8.06181 10.1917 8.37287 4.81881 13.6165 8.57673 9.42615 7.46689 numMergedOcc 0
52 mol 228 unq 1 iso 0 dist 8.38048 7.09673 7.65132 6.5952 8.37287 11.1604 12.7909 8.57673 14.9859 7.46689 numMergedOcc 0
53 mol 228 unq 1 iso 1 dist 7.65132 7.09673 8.38048 11.1604 8.37287 6.5952 14.9859 8.57673 12.7909 7.46689 numMergedOcc 0
54 mol 228 unq 2 iso 0 dist 8.38048 6.61579 8.53764 6.5952 8.37287 10.1917 12.7909 8.57673 13.6165 7.46689 numMergedOcc 0
55 mol 228 unq 2 iso 1 dist 8.53764 6.61579 8.38048 10.1917 8.37287 6.5952 13.6165 8.57673 12.7909 7.46689 numMergedOcc 0
56 mol 228 unq 2 iso 0 dist 7.65132 10.2985 8.53764 11.1604 8.37287 10.1917 14.9859 8.57673 13.6165 7.46689 numMergedOcc 0
57 mol 228 unq 2 iso 1 dist 8.53764 10.2985 7.65132 10.1917 8.37287 11.1604 13.6165 8.57673 14.9859 7.46689 numMergedOcc 0
58 mol 228 unq 3 iso 0 dist 7.77367 5.42695 8.20909 4.75417 8.07174 6.53802 9.06121 8.22089 12.4332 7.09766 numMergedOcc 0
59 mol 228 unq 3 iso 1 dist 8.20909 5.42695 7.77367 6.53802 8.07174 4.75417 12.4332 8.22089 9.06121 7.09766 numMergedOcc 0
60 mol 228 unq 4 iso 0 dist 7.77367 11.3702 7.94506 4.75417 8.07174 11.0908 9.06121 8.22089 14.7666 7.09766 numMergedOcc 0
61 mol 228 unq 4 iso 1 dist 7.94506 11.3702 7.77367 11.0908 8.07174 4.75417 14.7666 8.22089 9.06121 7.09766 numMergedOcc 0
62 mol 228 unq 5 iso 0 dist 7.77367 6.001 8.15494 4.75417 8.07174 10.0837 9.06121 8.22089 13.3068 7.09766 numMergedOcc 0
63 mol 228 unq 5 iso 1 dist 8.15494 6.001 7.77367 10.0837 8.07174 4.75417 13.3068 8.22089 9.06121 7.09766 numMergedOcc 0
64 mol 228 unq 4 iso 0 dist 8.20909 7.22215 7.94506 6.53802 8.07174 11.0908 12.4332 8.22089 14.7666 7.09766 numMergedOcc 0
65 mol 228 unq 4 iso 1 dist 7.94506 7.22215 8.20909 11.0908 8.07174 6.53802 14.7666 8.22089 12.4332 7.09766 numMergedOcc 0
66 mol 228 unq 5 iso 0 dist 8.20909 6.44695 8.15494 6.53802 8.07174 10.0837 12.4332 8.22089 13.3068 7.09766 numMergedOcc 0
67 mol 228 unq 5 iso 1 dist 8.15494 6.44695 8.20909 10.0837 8.07174 6.53802 13.3068 8.22089 12.4332 7.09766 numMergedOcc 0
68 mol 228 unq 5 iso 0 dist 7.94506 10.3635 8.15494 11.0908 8.07174 10.0837 14.7666 8.22089 13.3068 7.09766 numMergedOcc 0
69 mol 228 unq 5 iso 1 dist 8.15494 10.3635 7.94506 10.0837 8.07174 11.0908 13.3068 8.22089 14.7666 7.09766 numMergedOcc 0
70 mol 238 unq 0 iso 0 dist 8.96531 12.9854 7.02475 4.65297 6.65088 8.82861 10.0552 5.44694 7.67322 6.5772 numMergedOcc 0
71 mol 238 unq 0 iso 1 dist 7.02475 12.9854 8.96531 8.82861 6.65088 4.65297 7.67322 5.44694 10.0552 6.5772 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 8.96531 12.9854 7.02475 4.65297 6.65088 8.82861 10.3942 10.6286 13.5581 8.70193 numMergedOcc 0
73 mol 238 unq 1 iso 1 dist 7.02475 12.9854 8.96531 8.82861 6.65088 4.65297 13.5581 10.6286 10.3942 8.70193 numMergedOcc 0
74 mol 238 unq 2 iso 0 dist 8.96531 12.9854 7.02475 4.65297 6.65088 8.82861 10.0962 10.1756 7.19008 6.17025 numMergedOcc 0
75 mol 238 unq 2 iso 1 dist 7.02475 12.9854 8.96531 8.82861 6.65088 4.65297 7.19008 10.1756 10.0962 6.17025 numMergedOcc 0
76 mol 238 unq 3 iso 0 dist 8.96531 12.9854 7.02475 4.65297 6.65088 8.82861 10.5309 13.0634 11.3465 9.0378 numMergedOcc 0
77 mol 238 unq 3 iso 1 dist 7.02475 12.9854 8.96531 8.82861 6.65088 4.65297 11.3465 13.0634 10.5309 9.0378 numMergedOcc 0
78 mol 238 unq 4 iso 0 dist 9.90142 5.40359 5.9216 15.7973 8.70193 10.438 19.9032 10.6286 14.942 6.65088 numMergedOcc 0
79 mol 238 unq 4 iso 1 dist 5.9216 5.40359 9.90142 10.438 8.70193 15.7973 14.942 10.6286 19.9032 6.65088 numMergedOcc 0
80 mol 238 unq 5 iso 0 dist 9.90142 5.40359 5.9216 15.7973 8.70193 10.438 15.1933 6.32518 10.7532 6.5772 numMergedOcc 0
81 mol 238 unq 5 iso 1 dist 5.9216 5.40359 9.90142 10.438 8.70193 15.7973 10.7532 6.32518 15.1933 6.5772 numMergedOcc 0
82 mol 238 unq 6 iso 0 dist 9.90142 5.40359 5.9216 15.7973 8.70193 10.438 17.4175 12.6266 12.746 6.17025 numMergedOcc 0
83 mol 238 unq 6 iso 1 dist 5.9216 5.40359 9.90142 10.438 8.70193 15.7973 12.746 12.6266 17.4175 6.17025 numMergedOcc 0
84 mol 238 unq 7 iso 0 dist 9.90142 5.40359 5.9216 15.7973 8.70193 10.438 21.9435 17.3008 17.0637 9.0378 numMergedOcc 0
85 mol 238 unq 7 iso 1 dist 5.9216 5.40359 9.90142 10.438 8.70193 15.7973 17.0637 17.3008 21.9435 9.0378 numMergedOcc 0
86 mol 238 unq 8 iso 0 dist 7.49471 5.34096 7.19008 12.1252 6.17025 8.82861 12.1784 10.1756 7.02475 6.65088 numMergedOcc 0
87 mol 238 unq 8 iso 1 dist 7.19008 5.34096 7.49471 8.82861 6.17025 12.1252 7.02475 10.1756 12.1784 6.65088 numMergedOcc 0
88 mol 238 unq 9 iso 0 dist 7.49471 5.34096 7.19008 12.1252 6.17025 8.82861 12.1937 9.50847 7.67322 6.5772 numMergedOcc 0
89 mol 238 unq 9 iso 1 dist 7.19008 5.34096 7.49471 8.82861 6.17025 12.1252 7.67322 9.50847 12.1937 6.5772 numMergedOcc 0
90 mol 238 unq 10 iso 0 dist 7.49471 5.34096 7.19008 12.1252 6.17025 8.82861 17.2889 12.6266 13.5581 8.70193 numMergedOcc 0
91 mol 238 unq 10 iso 1 dist 7.19008 5.34096 7.49471 8.82861 6.17025 12.1252 13.5581 12.6266 17.2889 8.70193 numMergedOcc 0
92 mol 238 unq 11 iso 0 dist 7.49471 5.34096 7.19008 12.1252 6.17025 8.82861 10.9946 6.34909 11.3465 9.0378 numMergedOcc 0
93 mol 238 unq 11 iso 1 dist 7.19008 5.34096 7.49471 8.82861 6.17025 12.1252 11.3465 6.34909 10.9946 9.0378 numMergedOcc 0
