0 mol 7 unq 0 iso 0 dist 6.02702 11.8172 8.72114 15.9584 9.97624 10.515 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.72114 11.8172 6.02702 10.515 9.97624 15.9584 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 6.67334 6.50647 6.29685 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 6.29685 6.50647 6.67334 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.40416 7.67038 7.75618 6.74265 7.02548 5.5841 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 7.75618 7.67038 8.40416 5.5841 7.02548 6.74265 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.41575 5.80928 6.41423 5.14627 5.82366 4.69858 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.41423 5.80928 6.41575 4.69858 5.82366 5.14627 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.46104 7.96502 7.36856 11.0099 7.3022 4.74747 numMergedOcc 0
9 mol 26 unq 0 iso 1 dist 7.36856 7.96502 6.46104 4.74747 7.3022 11.0099 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.56205 8.62608 4.74544 11.7069 6.04903 5.49555 numMergedOcc 0
11 mol 62 unq 0 iso 1 dist 4.74544 8.62608 7.56205 5.49555 6.04903 11.7069 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.7117 8.40073 4.47349 8.70415 6.0129 10.0962 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 4.47349 8.40073 6.7117 10.0962 6.0129 8.70415 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.7117 10.2427 5.65185 8.70415 6.0129 11.2452 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 5.65185 10.2427 6.7117 11.2452 6.0129 8.70415 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 4.47349 5.02887 5.65185 10.0962 6.0129 11.2452 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 5.65185 5.02887 4.47349 11.2452 6.0129 10.0962 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 9.72053 15.1532 7.7949 6.01663 6.90634 12.8559 numMergedOcc 0
19 mol 130 unq 0 iso 1 dist 7.7949 15.1532 9.72053 12.8559 6.90634 6.01663 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.69991 5.00526 6.23142 6.69989 8.55616 5.3585 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 6.23142 5.00526 7.69991 5.3585 8.55616 6.69989 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 7.69991 5.00526 6.23142 10.1448 8.73604 5.41704 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 6.23142 5.00526 7.69991 5.41704 8.73604 10.1448 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 7.69991 11.3271 9.94764 6.69989 8.55616 6.74887 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 9.94764 11.3271 7.69991 6.74887 8.55616 6.69989 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 7.69991 11.3271 9.94764 10.1448 8.73604 6.17103 numMergedOcc 0
27 mol 134 unq 3 iso 1 dist 9.94764 11.3271 7.69991 6.17103 8.73604 10.1448 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 6.23142 6.81259 9.94764 5.3585 8.55616 6.74887 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 9.94764 6.81259 6.23142 6.74887 8.55616 5.3585 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 6.23142 6.81259 9.94764 5.41704 8.73604 6.17103 numMergedOcc 0
31 mol 134 unq 3 iso 1 dist 9.94764 6.81259 6.23142 6.17103 8.73604 5.41704 numMergedOcc 0
32 mol 135 unq 0 iso 0 dist 5.62052 6.57193 7.85645 4.91422 9.15377 6.35261 numMergedOcc 0
33 mol 135 unq 0 iso 1 dist 7.85645 6.57193 5.62052 6.35261 9.15377 4.91422 numMergedOcc 0
34 mol 135 unq 1 iso 0 dist 7.90563 6.57193 8.97655 7.66205 7.12936 6.69568 numMergedOcc 0
35 mol 135 unq 1 iso 1 dist 8.97655 6.57193 7.90563 6.69568 7.12936 7.66205 numMergedOcc 0
36 mol 146 unq 0 iso 0 dist 8.84535 9.83507 8.82188 14.7359 9.44952 7.00857 numMergedOcc 0
37 mol 146 unq 0 iso 1 dist 8.82188 9.83507 8.84535 7.00857 9.44952 14.7359 numMergedOcc 0
38 mol 148 unq 0 iso 0 dist 9.91993 5.99954 9.99156 10.2478 8.73468 6.84291 numMergedOcc 0
39 mol 148 unq 0 iso 1 dist 9.99156 5.99954 9.91993 6.84291 8.73468 10.2478 numMergedOcc 0
40 mol 148 unq 1 iso 0 dist 6.22055 5.99954 8.18085 10.2478 9.73927 6.84291 numMergedOcc 0
41 mol 148 unq 1 iso 1 dist 8.18085 5.99954 6.22055 6.84291 9.73927 10.2478 numMergedOcc 0
42 mol 150 unq 0 iso 0 dist 9.96691 5.93095 9.8656 10.2318 8.73558 6.79619 numMergedOcc 0
43 mol 150 unq 0 iso 1 dist 9.8656 5.93095 9.96691 6.79619 8.73558 10.2318 numMergedOcc 0
44 mol 150 unq 1 iso 0 dist 6.14675 5.93095 7.94889 10.2318 9.66129 6.79619 numMergedOcc 0
45 mol 150 unq 1 iso 1 dist 7.94889 5.93095 6.14675 6.79619 9.66129 10.2318 numMergedOcc 0
46 mol 155 unq 0 iso 0 dist 8.69157 7.01918 6.53347 5.48883 9.0529 9.36596 numMergedOcc 0
47 mol 155 unq 0 iso 1 dist 6.53347 7.01918 8.69157 9.36596 9.0529 5.48883 numMergedOcc 0
48 mol 155 unq 1 iso 0 dist 8.69157 7.01918 6.53347 8.78665 7.55196 5.40375 numMergedOcc 0
49 mol 155 unq 1 iso 1 dist 6.53347 7.01918 8.69157 5.40375 7.55196 8.78665 numMergedOcc 0
50 mol 156 unq 0 iso 0 dist 9.44367 5.56175 7.90267 7.29758 5.81122 8.67156 numMergedOcc 0
51 mol 156 unq 0 iso 1 dist 7.90267 5.56175 9.44367 8.67156 5.81122 7.29758 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 6.2479 6.01247 6.22122 6.25083 9.06217 10.5753 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 6.22122 6.01247 6.2479 10.5753 9.06217 6.25083 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 6.2479 6.01247 6.22122 4.77278 7.13252 5.88819 numMergedOcc 0
55 mol 181 unq 1 iso 1 dist 6.22122 6.01247 6.2479 5.88819 7.13252 4.77278 numMergedOcc 0
56 mol 181 unq 2 iso 0 dist 6.2479 8.88798 7.99195 6.25083 9.06217 5.86342 numMergedOcc 0
57 mol 181 unq 2 iso 1 dist 7.99195 8.88798 6.2479 5.86342 9.06217 6.25083 numMergedOcc 0
58 mol 181 unq 3 iso 0 dist 6.2479 8.88798 7.99195 4.77278 7.13252 9.14057 numMergedOcc 0
59 mol 181 unq 3 iso 1 dist 7.99195 8.88798 6.2479 9.14057 7.13252 4.77278 numMergedOcc 0
60 mol 181 unq 2 iso 0 dist 6.22122 12.6324 7.99195 10.5753 9.06217 5.86342 numMergedOcc 0
61 mol 181 unq 2 iso 1 dist 7.99195 12.6324 6.22122 5.86342 9.06217 10.5753 numMergedOcc 0
62 mol 181 unq 3 iso 0 dist 6.22122 12.6324 7.99195 5.88819 7.13252 9.14057 numMergedOcc 0
63 mol 181 unq 3 iso 1 dist 7.99195 12.6324 6.22122 9.14057 7.13252 5.88819 numMergedOcc 0
64 mol 186 unq 0 iso 0 dist 7.76163 14.5862 8.73217 10.5203 9.84492 11.7299 numMergedOcc 0
65 mol 186 unq 0 iso 1 dist 8.73217 14.5862 7.76163 11.7299 9.84492 10.5203 numMergedOcc 0
66 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 8.78722 7.17337 13.5597 numMergedOcc 0
67 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 13.5597 7.17337 8.78722 numMergedOcc 0
68 mol 235 unq 0 iso 0 dist 9.55668 9.89669 6.95126 4.65302 7.95766 6.43692 numMergedOcc 0
69 mol 235 unq 0 iso 1 dist 6.95126 9.89669 9.55668 6.43692 7.95766 4.65302 numMergedOcc 0
70 mol 237 unq 0 iso 0 dist 6.99315 14.5975 9.60163 10.1861 7.55103 9.10323 numMergedOcc 0
71 mol 237 unq 0 iso 1 dist 9.60163 14.5975 6.99315 9.10323 7.55103 10.1861 numMergedOcc 0
72 mol 238 unq 0 iso 0 dist 7.57812 10.0191 9.24557 5.11565 8.90076 11.0401 numMergedOcc 0
73 mol 238 unq 0 iso 1 dist 9.24557 10.0191 7.57812 11.0401 8.90076 5.11565 numMergedOcc 0
74 mol 238 unq 1 iso 0 dist 7.57812 10.0191 9.24557 13.0842 6.87131 8.85181 numMergedOcc 0
75 mol 238 unq 1 iso 1 dist 9.24557 10.0191 7.57812 8.85181 6.87131 13.0842 numMergedOcc 0
76 mol 238 unq 2 iso 0 dist 7.57812 10.0191 9.24557 13.171 8.09718 11.9142 numMergedOcc 0
77 mol 238 unq 2 iso 1 dist 9.24557 10.0191 7.57812 11.9142 8.09718 13.171 numMergedOcc 0
78 mol 238 unq 3 iso 0 dist 8.94014 5.6348 7.02333 10.8635 7.04753 5.68826 numMergedOcc 0
79 mol 238 unq 3 iso 1 dist 7.02333 5.6348 8.94014 5.68826 7.04753 10.8635 numMergedOcc 0
80 mol 238 unq 4 iso 0 dist 8.94014 8.87326 8.67864 10.8635 7.04753 4.87097 numMergedOcc 0
81 mol 238 unq 4 iso 1 dist 8.67864 8.87326 8.94014 4.87097 7.04753 10.8635 numMergedOcc 0
82 mol 238 unq 4 iso 0 dist 7.02333 5.31152 8.67864 5.68826 7.04753 4.87097 numMergedOcc 0
83 mol 238 unq 4 iso 1 dist 8.67864 5.31152 7.02333 4.87097 7.04753 5.68826 numMergedOcc 0
84 mol 243 unq 0 iso 0 dist 7.49645 5.37618 9.9222 5.70464 7.12785 10.3961 numMergedOcc 0
85 mol 243 unq 0 iso 1 dist 9.9222 5.37618 7.49645 10.3961 7.12785 5.70464 numMergedOcc 0
86 mol 243 unq 1 iso 0 dist 7.49645 5.37618 9.9222 7.83758 6.66959 7.8399 numMergedOcc 0
87 mol 243 unq 1 iso 1 dist 9.9222 5.37618 7.49645 7.8399 6.66959 7.83758 numMergedOcc 0
88 mol 259 unq 0 iso 0 dist 7.98231 6.96053 7.08526 11.6195 8.71497 5.79468 numMergedOcc 0
89 mol 259 unq 0 iso 1 dist 7.08526 6.96053 7.98231 5.79468 8.71497 11.6195 numMergedOcc 0
90 mol 271 unq 0 iso 0 dist 8.98576 7.04094 8.92636 6.78222 5.81266 6.20098 numMergedOcc 0
91 mol 271 unq 0 iso 1 dist 8.92636 7.04094 8.98576 6.20098 5.81266 6.78222 numMergedOcc 0
92 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 4.89568 8.68913 5.14347 numMergedOcc 0
93 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 5.14347 8.68913 4.89568 numMergedOcc 0
94 mol 287 unq 0 iso 0 dist 8.91712 10.9208 9.65934 4.62998 5.59555 7.23534 numMergedOcc 0
95 mol 287 unq 0 iso 1 dist 9.65934 10.9208 8.91712 7.23534 5.59555 4.62998 numMergedOcc 0
96 mol 288 unq 0 iso 0 dist 8.91712 10.9208 9.65934 4.62998 5.59555 7.23534 numMergedOcc 0
97 mol 288 unq 0 iso 1 dist 9.65934 10.9208 8.91712 7.23534 5.59555 4.62998 numMergedOcc 0
98 mol 289 unq 0 iso 0 dist 8.91712 10.9208 9.65934 4.62998 5.59555 7.23534 numMergedOcc 0
99 mol 289 unq 0 iso 1 dist 9.65934 10.9208 8.91712 7.23534 5.59555 4.62998 numMergedOcc 0
