0 mol 0 unq 0 iso 0 dist 9.94248 16.5727 9.23213 14.3653 5.08793 9.6994 19.297 10.4498 7.15528 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.94248 16.5727 9.23213 19.297 10.4498 7.15528 14.3653 5.08793 9.6994 7.19817 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.20338 11.6322 7.12903 14.5813 5.90976 9.97507 14.2985 5.51916 6.82505 5.17568 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 9.20338 11.6322 7.12903 14.2985 5.51916 6.82505 14.5813 5.90976 9.97507 5.17568 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 5.77753 5.45161 5.47769 8.33883 6.2983 6.31718 9.79958 5.94084 7.63133 10.8455 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 5.77753 5.45161 5.47769 9.79958 5.94084 7.63133 8.33883 6.2983 6.31718 10.8455 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.04865 12.4435 8.23643 16.8224 11.0832 7.20519 13.8602 6.55187 4.54938 7.34551 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 9.04865 12.4435 8.23643 13.8602 6.55187 4.54938 16.8224 11.0832 7.20519 7.34551 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 9.04865 12.4435 8.23643 16.8224 11.0832 7.20519 18.8997 12.3093 6.864 7.07775 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 9.04865 12.4435 8.23643 18.8997 12.3093 6.864 16.8224 11.0832 7.20519 7.07775 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 9.04865 12.4435 8.23643 13.8602 6.55187 4.54938 18.8997 12.3093 6.864 5.80928 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 9.04865 12.4435 8.23643 18.8997 12.3093 6.864 13.8602 6.55187 4.54938 5.80928 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 11.7436 13.4082 9.38498 6.89722 7.41074 9.96396 15.7123 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 6.4154 10.4716 8.70133 6.89722 7.41074 9.96396 11.7436 13.4082 9.38498 15.7123 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.4154 10.4716 8.70133 11.7436 13.4082 9.38498 14.4206 15.9882 9.75218 13.7412 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 6.4154 10.4716 8.70133 14.4206 15.9882 9.75218 11.7436 13.4082 9.38498 13.7412 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.4154 10.4716 8.70133 6.89722 7.41074 9.96396 14.4206 15.9882 9.75218 12.016 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 6.4154 10.4716 8.70133 14.4206 15.9882 9.75218 6.89722 7.41074 9.96396 12.016 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 8.15367 11.9657 8.36431 14.7733 10.9701 9.33898 19.5554 12.4284 9.64443 13.1316 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 8.15367 11.9657 8.36431 19.5554 12.4284 9.64443 14.7733 10.9701 9.33898 13.1316 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 9.82043 5.2995 6.58204 13.2687 10.9608 9.60661 11.8029 5.01145 7.17106 11.5403 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 9.82043 5.2995 6.58204 11.8029 5.01145 7.17106 13.2687 10.9608 9.60661 11.5403 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 9.82043 5.2995 6.58204 13.2687 10.9608 9.60661 12.5343 5.69137 9.35224 7.80879 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 9.82043 5.2995 6.58204 12.5343 5.69137 9.35224 13.2687 10.9608 9.60661 7.80879 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 9.82043 5.2995 6.58204 11.8029 5.01145 7.17106 12.5343 5.69137 9.35224 8.87654 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 9.82043 5.2995 6.58204 12.5343 5.69137 9.35224 11.8029 5.01145 7.17106 8.87654 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 13.2687 10.9608 6.65086 8.8807 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 9.82043 7.58985 7.75343 13.2687 10.9608 6.65086 12.0248 15.209 7.47343 8.8807 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 12.5343 5.69137 6.56369 12.6515 numMergedOcc 0
29 mol 100 unq 3 iso 1 dist 9.82043 7.58985 7.75343 12.5343 5.69137 6.56369 12.0248 15.209 7.47343 12.6515 numMergedOcc 0
30 mol 100 unq 4 iso 0 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 15.2752 9.21622 9.30209 13.887 numMergedOcc 0
31 mol 100 unq 4 iso 1 dist 9.82043 7.58985 7.75343 15.2752 9.21622 9.30209 12.0248 15.209 7.47343 13.887 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 9.82043 7.58985 7.75343 13.2687 10.9608 6.65086 12.5343 5.69137 6.56369 7.80879 numMergedOcc 0
33 mol 100 unq 3 iso 1 dist 9.82043 7.58985 7.75343 12.5343 5.69137 6.56369 13.2687 10.9608 6.65086 7.80879 numMergedOcc 0
34 mol 100 unq 4 iso 0 dist 9.82043 7.58985 7.75343 13.2687 10.9608 6.65086 15.2752 9.21622 9.30209 5.38414 numMergedOcc 0
35 mol 100 unq 4 iso 1 dist 9.82043 7.58985 7.75343 15.2752 9.21622 9.30209 13.2687 10.9608 6.65086 5.38414 numMergedOcc 0
36 mol 100 unq 4 iso 0 dist 9.82043 7.58985 7.75343 12.5343 5.69137 6.56369 15.2752 9.21622 9.30209 6.39938 numMergedOcc 0
37 mol 100 unq 4 iso 1 dist 9.82043 7.58985 7.75343 15.2752 9.21622 9.30209 12.5343 5.69137 6.56369 6.39938 numMergedOcc 0
38 mol 127 unq 0 iso 0 dist 8.20636 16.0489 8.59981 22.9955 14.9761 8.14887 22.1143 14.085 9.30299 7.30196 numMergedOcc 0
39 mol 127 unq 0 iso 1 dist 8.20636 16.0489 8.59981 22.1143 14.085 9.30299 22.9955 14.9761 8.14887 7.30196 numMergedOcc 0
40 mol 127 unq 1 iso 0 dist 8.03243 9.75166 8.59981 12.4824 14.9761 8.14887 8.40046 14.085 9.30299 7.30196 numMergedOcc 0
41 mol 127 unq 1 iso 1 dist 8.03243 9.75166 8.59981 8.40046 14.085 9.30299 12.4824 14.9761 8.14887 7.30196 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 8.25207 14.4683 7.92688 11.5008 4.68409 7.11802 18.0344 12.2037 8.00618 8.18495 numMergedOcc 0
43 mol 133 unq 0 iso 1 dist 8.25207 14.4683 7.92688 18.0344 12.2037 8.00618 11.5008 4.68409 7.11802 8.18495 numMergedOcc 0
44 mol 155 unq 0 iso 0 dist 5.64806 11.0287 9.14392 9.70079 6.3845 7.46303 15.6872 12.1814 6.43582 7.66392 numMergedOcc 0
45 mol 155 unq 0 iso 1 dist 5.64806 11.0287 9.14392 15.6872 12.1814 6.43582 9.70079 6.3845 7.46303 7.66392 numMergedOcc 0
46 mol 156 unq 0 iso 0 dist 8.47477 6.39035 6.27641 12.8527 7.29758 7.44554 14.7712 8.67156 8.94056 5.56175 numMergedOcc 0
47 mol 156 unq 0 iso 1 dist 8.47477 6.39035 6.27641 14.7712 8.67156 8.94056 12.8527 7.29758 7.44554 5.56175 numMergedOcc 0
48 mol 156 unq 1 iso 0 dist 8.47477 6.39035 6.27641 12.8527 7.29758 7.44554 11.0838 4.53931 9.83699 8.38403 numMergedOcc 0
49 mol 156 unq 1 iso 1 dist 8.47477 6.39035 6.27641 11.0838 4.53931 9.83699 12.8527 7.29758 7.44554 8.38403 numMergedOcc 0
50 mol 156 unq 1 iso 0 dist 8.47477 6.39035 6.27641 14.7712 8.67156 8.94056 11.0838 4.53931 9.83699 11.2719 numMergedOcc 0
51 mol 156 unq 1 iso 1 dist 8.47477 6.39035 6.27641 11.0838 4.53931 9.83699 14.7712 8.67156 8.94056 11.2719 numMergedOcc 0
52 mol 156 unq 2 iso 0 dist 8.57453 9.27577 6.27641 13.6067 7.29758 7.44554 16.4964 8.67156 8.94056 5.56175 numMergedOcc 0
53 mol 156 unq 2 iso 1 dist 8.57453 9.27577 6.27641 16.4964 8.67156 8.94056 13.6067 7.29758 7.44554 5.56175 numMergedOcc 0
54 mol 156 unq 3 iso 0 dist 8.57453 9.27577 6.27641 13.6067 7.29758 7.44554 9.16591 4.53931 9.83699 8.38403 numMergedOcc 0
55 mol 156 unq 3 iso 1 dist 8.57453 9.27577 6.27641 9.16591 4.53931 9.83699 13.6067 7.29758 7.44554 8.38403 numMergedOcc 0
56 mol 156 unq 3 iso 0 dist 8.57453 9.27577 6.27641 16.4964 8.67156 8.94056 9.16591 4.53931 9.83699 11.2719 numMergedOcc 0
57 mol 156 unq 3 iso 1 dist 8.57453 9.27577 6.27641 9.16591 4.53931 9.83699 16.4964 8.67156 8.94056 11.2719 numMergedOcc 0
58 mol 175 unq 0 iso 0 dist 6.84347 12.1089 9.31887 17.1425 11.0415 9.0018 11.1504 5.0384 7.652 7.42466 numMergedOcc 0
59 mol 175 unq 0 iso 1 dist 6.84347 12.1089 9.31887 11.1504 5.0384 7.652 17.1425 11.0415 9.0018 7.42466 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 8.77324 5.19217 8.19953 13.1546 8.64911 9.40098 11.3126 10.7113 6.61986 9.54151 numMergedOcc 0
61 mol 224 unq 0 iso 1 dist 8.77324 5.19217 8.19953 11.3126 10.7113 6.61986 13.1546 8.64911 9.40098 9.54151 numMergedOcc 0
62 mol 224 unq 1 iso 0 dist 6.4508 4.91322 6.65984 9.33771 5.29877 6.57273 7.39839 6.12232 6.60589 5.0744 numMergedOcc 0
63 mol 224 unq 1 iso 1 dist 6.4508 4.91322 6.65984 7.39839 6.12232 6.60589 9.33771 5.29877 6.57273 5.0744 numMergedOcc 0
64 mol 224 unq 2 iso 0 dist 8.60781 5.63485 6.87664 9.34636 7.98696 8.95269 9.79616 7.12232 6.57273 4.70378 numMergedOcc 0
65 mol 224 unq 2 iso 1 dist 8.60781 5.63485 6.87664 9.79616 7.12232 6.57273 9.34636 7.98696 8.95269 4.70378 numMergedOcc 0
66 mol 224 unq 3 iso 0 dist 8.60781 5.63485 6.87664 9.34636 7.98696 8.95269 10.0081 5.3621 5.78342 11.5372 numMergedOcc 0
67 mol 224 unq 3 iso 1 dist 8.60781 5.63485 6.87664 10.0081 5.3621 5.78342 9.34636 7.98696 8.95269 11.5372 numMergedOcc 0
68 mol 224 unq 3 iso 0 dist 8.60781 5.63485 6.87664 9.79616 7.12232 6.57273 10.0081 5.3621 5.78342 8.49799 numMergedOcc 0
69 mol 224 unq 3 iso 1 dist 8.60781 5.63485 6.87664 10.0081 5.3621 5.78342 9.79616 7.12232 6.57273 8.49799 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 13.0242 9.13836 7.09863 4.39704 numMergedOcc 0
71 mol 227 unq 0 iso 1 dist 8.34104 14.9329 8.17891 13.0242 9.13836 7.09863 9.17826 6.43754 7.22101 4.39704 numMergedOcc 0
72 mol 264 unq 0 iso 0 dist 9.67417 10.0289 9.0012 16.8589 9.74238 9.361 6.75305 5.12409 6.24356 10.3202 numMergedOcc 0
73 mol 264 unq 0 iso 1 dist 9.67417 10.0289 9.0012 6.75305 5.12409 6.24356 16.8589 9.74238 9.361 10.3202 numMergedOcc 0
