0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 8.43054 4.65873 9.81307 6.92781 5.05803 12.5273 6.57331 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 5.32694 5.46498 10.9143 11.1513 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 10.4155 8.71745 16.4009 16.7405 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.09311 11.6226 6.17155 10.0952 6.86014 12.5077 16.0162 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 9.05357 13.1949 10.3122 10.0952 6.86014 12.5077 16.8554 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 6.44287 8.38394 12.5077 10.9819 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 6.75943 5.41726 4.96926 8.13395 8.80331 10.5523 6.6263 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 6.75943 5.41726 10.0383 8.13395 8.80331 14.7803 6.6263 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 9.33906 6.42339 5.1274 5.24762 6.43774 11.2563 11.5679 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 9.4099 6.64012 6.47414 9.08221 8.55984 4.00553 10.6169 9.55426 13.4544 15.6595 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 7.57295 7.80499 5.6397 6.54743 8.90863 10.0828 7.48086 numMergedOcc 0
11 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 7.57295 7.80499 8.62476 6.54743 8.90863 11.5843 7.48086 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 6.65595 8.52121 8.93946 7.57295 7.80499 6.55502 6.54743 8.90863 12.4757 7.48086 numMergedOcc 0
13 mol 60 unq 3 iso 0 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 10.1562 8.33063 16.4714 12.8147 numMergedOcc 0
14 mol 60 unq 4 iso 0 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 5.67502 8.7531 11.1899 8.4312 numMergedOcc 0
15 mol 60 unq 5 iso 0 dist 6.43294 9.25011 11.3621 7.57295 8.62476 5.6397 10.1562 8.33063 17.3965 12.8147 numMergedOcc 0
16 mol 60 unq 6 iso 0 dist 6.43294 9.25011 11.3621 7.57295 8.62476 5.6397 5.67502 8.7531 12.4656 8.4312 numMergedOcc 0
17 mol 60 unq 7 iso 0 dist 6.43294 8.52121 5.51199 7.57295 8.62476 6.55502 10.1562 8.33063 13.1051 12.8147 numMergedOcc 0
18 mol 60 unq 8 iso 0 dist 6.43294 8.52121 5.51199 7.57295 8.62476 6.55502 5.67502 8.7531 11.6311 8.4312 numMergedOcc 0
19 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 7.12321 7.47371 4.27726 8.24309 9.78528 9.84449 6.21799 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 10.7394 8.8178 9.84449 13.6019 numMergedOcc 0
21 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 9.10345 13.4212 11.6634 10.7394 8.8178 9.84449 18.0706 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.73086 5.70116 17.4121 5.4148 6.19304 10.2049 7.4369 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.73086 5.70116 17.4121 14.9342 8.70481 20.257 12.8207 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 9.73086 5.70116 14.844 5.4148 6.19304 11.6369 7.4369 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 9.73086 5.70116 14.844 14.9342 8.70481 10.1207 12.8207 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.7068 4.41789 6.36397 5.42586 7.97049 11.3023 10.2413 numMergedOcc 0
27 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.7068 4.41789 5.59906 5.42586 7.97049 7.47541 10.2413 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 7.7068 5.59906 6.36397 5.42586 7.47541 11.3023 10.2413 numMergedOcc 0
29 mol 85 unq 3 iso 0 dist 7.66905 7.95579 10.7229 7.7068 5.59906 6.36397 10.1164 5.73196 15.309 11.2056 numMergedOcc 0
30 mol 85 unq 4 iso 0 dist 7.66905 6.19965 6.9948 7.7068 5.59906 4.41789 5.42586 7.47541 7.97049 10.2413 numMergedOcc 0
31 mol 85 unq 5 iso 0 dist 7.66905 6.19965 6.9948 7.7068 5.59906 4.41789 10.1164 5.73196 11.2656 11.2056 numMergedOcc 0
32 mol 95 unq 0 iso 0 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 16.6055 9.03572 16.9836 19.7448 numMergedOcc 0
33 mol 95 unq 1 iso 0 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 13.8105 8.83255 16.9811 19.9408 numMergedOcc 0
34 mol 95 unq 2 iso 0 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 16.6055 9.03572 16.9836 11.97 numMergedOcc 0
35 mol 95 unq 3 iso 0 dist 8.03644 7.27724 8.41707 9.74607 5.06946 6.12605 13.8105 8.83255 16.9811 13.5721 numMergedOcc 0
36 mol 95 unq 4 iso 0 dist 8.03644 9.03572 16.6055 8.27883 15.6249 4.99174 8.41707 7.27724 16.9836 15.6447 numMergedOcc 0
37 mol 95 unq 5 iso 0 dist 8.03644 9.03572 16.6055 5.75428 12.4896 4.46005 8.41707 7.27724 16.9836 14.0772 numMergedOcc 0
38 mol 95 unq 6 iso 0 dist 8.03644 9.03572 16.6055 8.57395 14.2178 8.28518 8.41707 7.27724 16.9836 14.1515 numMergedOcc 0
39 mol 95 unq 7 iso 0 dist 8.03644 9.03572 16.6055 9.85409 8.78079 15.917 8.41707 7.27724 16.9836 10.3132 numMergedOcc 0
40 mol 95 unq 8 iso 0 dist 8.03644 8.83255 13.8105 8.27883 15.6249 8.67311 8.41707 7.27724 16.9811 15.6447 numMergedOcc 0
41 mol 95 unq 9 iso 0 dist 8.03644 8.83255 13.8105 5.75428 12.4896 3.94293 8.41707 7.27724 16.9811 14.0772 numMergedOcc 0
42 mol 95 unq 10 iso 0 dist 8.03644 8.83255 13.8105 8.57395 14.2178 9.22202 8.41707 7.27724 16.9811 14.1515 numMergedOcc 0
43 mol 95 unq 11 iso 0 dist 8.03644 8.83255 13.8105 9.85409 8.78079 13.7484 8.41707 7.27724 16.9811 10.3132 numMergedOcc 0
44 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 11.5403 7.17106 10.5134 10.5432 numMergedOcc 0
45 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 7.80879 9.35224 6.56369 11.5088 numMergedOcc 0
46 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 7.82475 5.9143 5.43561 8.8807 6.65086 10.1409 11.9928 numMergedOcc 0
47 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 7.82475 5.9143 5.43561 12.6515 6.56369 11.8665 10.694 numMergedOcc 0
48 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 7.82475 5.9143 5.43561 13.887 9.30209 13.912 14.966 numMergedOcc 0
49 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 5.35782 5.47563 6.30222 8.8807 6.65086 10.1409 9.94341 numMergedOcc 0
50 mol 100 unq 6 iso 0 dist 7.47343 6.45675 5.33144 5.35782 5.47563 6.30222 12.6515 6.56369 11.8665 9.82522 numMergedOcc 0
51 mol 100 unq 7 iso 0 dist 7.47343 6.45675 5.33144 5.35782 5.47563 6.30222 13.887 9.30209 13.912 13.4844 numMergedOcc 0
52 mol 100 unq 8 iso 0 dist 7.47343 8.86688 10.1407 7.82475 5.9143 5.25234 8.8807 6.65086 14.9102 11.9928 numMergedOcc 0
53 mol 100 unq 9 iso 0 dist 7.47343 8.86688 10.1407 7.82475 5.9143 5.25234 12.6515 6.56369 13.6959 10.694 numMergedOcc 0
54 mol 100 unq 10 iso 0 dist 7.47343 8.86688 10.1407 7.82475 5.9143 5.25234 13.887 9.30209 18.2109 14.966 numMergedOcc 0
55 mol 100 unq 11 iso 0 dist 7.47343 8.86688 10.1407 5.35782 5.47563 5.03232 8.8807 6.65086 14.9102 9.94341 numMergedOcc 0
56 mol 100 unq 12 iso 0 dist 7.47343 8.86688 10.1407 5.35782 5.47563 5.03232 12.6515 6.56369 13.6959 9.82522 numMergedOcc 0
57 mol 100 unq 13 iso 0 dist 7.47343 8.86688 10.1407 5.35782 5.47563 5.03232 13.887 9.30209 18.2109 13.4844 numMergedOcc 0
58 mol 100 unq 14 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 8.8807 7.47343 12.0662 9.76432 numMergedOcc 0
59 mol 100 unq 15 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 7.80879 6.56369 9.35224 11.5088 numMergedOcc 0
60 mol 100 unq 16 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 5.38414 9.30209 10.5853 11.6812 numMergedOcc 0
61 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 6.39384 6.63111 6.07067 7.69052 5.83991 7.88312 9.42082 numMergedOcc 0
62 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 6.24825 6.95773 6.01673 8.02349 6.11741 7.88312 10.0255 numMergedOcc 0
63 mol 115 unq 2 iso 0 dist 5.83991 7.30858 10.8507 7.69765 4.48636 10.3209 7.69052 9.33865 13.8473 13.4105 numMergedOcc 0
64 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 9.42082 6.63111 15.3161 7.69052 9.33865 13.8473 6.39384 numMergedOcc 0
65 mol 115 unq 4 iso 0 dist 5.83991 7.88312 8.02349 7.69765 4.48636 11.835 7.69052 9.33865 6.11741 13.4105 numMergedOcc 0
66 mol 115 unq 5 iso 0 dist 5.83991 7.88312 8.02349 9.42082 6.63111 6.07067 7.69052 9.33865 6.11741 6.39384 numMergedOcc 0
67 mol 115 unq 6 iso 0 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 10.8507 7.30858 13.8473 13.22 numMergedOcc 0
68 mol 115 unq 7 iso 0 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 8.02349 7.88312 6.11741 10.0255 numMergedOcc 0
69 mol 115 unq 8 iso 0 dist 6.11741 9.33865 8.02349 6.39384 6.07067 6.63111 7.69052 7.88312 5.83991 9.42082 numMergedOcc 0
70 mol 115 unq 9 iso 0 dist 7.88312 7.30858 11.5723 7.69765 11.835 10.3209 7.69052 6.11741 13.8473 13.4105 numMergedOcc 0
71 mol 115 unq 10 iso 0 dist 7.88312 7.30858 11.5723 9.42082 6.07067 15.3161 7.69052 6.11741 13.8473 6.39384 numMergedOcc 0
72 mol 115 unq 11 iso 0 dist 7.88312 5.83991 8.02349 7.69765 11.835 4.48636 7.69052 6.11741 9.33865 13.4105 numMergedOcc 0
73 mol 115 unq 12 iso 0 dist 7.88312 5.83991 8.02349 9.42082 6.07067 6.63111 7.69052 6.11741 9.33865 6.39384 numMergedOcc 0
74 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 8.84018 7.20875 3.77029 13.1058 9.84395 16.5575 16.804 numMergedOcc 0
75 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 8.84018 7.20875 5.21535 13.1058 9.84395 17.163 16.804 numMergedOcc 0
76 mol 117 unq 2 iso 0 dist 7.90328 9.84395 13.1058 6.10127 10.5783 6.57678 7.22206 7.83136 16.5575 11.6387 numMergedOcc 0
77 mol 117 unq 3 iso 0 dist 7.90328 9.84395 13.1058 6.10127 10.5783 6.57678 9.3584 7.0603 17.163 14.762 numMergedOcc 0
78 mol 133 unq 0 iso 0 dist 7.24514 8.22656 6.65743 8.26547 5.03174 4.88025 6.761 9.91388 10.0372 12.4934 numMergedOcc 0
79 mol 133 unq 1 iso 0 dist 7.24514 8.22656 6.65743 8.26547 5.03174 4.88025 7.6656 9.52634 13.4163 13.5471 numMergedOcc 0
80 mol 133 unq 2 iso 0 dist 8.22656 7.24514 6.65743 8.26547 4.88025 5.03174 5.61668 6.82262 10.2995 9.05342 numMergedOcc 0
81 mol 133 unq 3 iso 0 dist 8.22656 6.82262 5.61668 7.22643 6.9945 4.19723 6.65743 7.24514 10.2995 10.4642 numMergedOcc 0
82 mol 133 unq 4 iso 0 dist 8.00618 6.29155 11.965 8.77023 15.0115 13.0405 8.18495 7.11802 13.268 12.5855 numMergedOcc 0
83 mol 133 unq 5 iso 0 dist 8.00618 6.80239 7.79672 8.77023 15.0115 13.7612 8.18495 7.11802 12.6651 12.5855 numMergedOcc 0
84 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 5.49782 6.37586 9.71307 7.93372 numMergedOcc 0
85 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 8.80819 6.49416 12.5075 11.988 numMergedOcc 0
86 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 9.33094 7.41373 10.8635 6.81259 9.86662 9.71307 8.69531 numMergedOcc 0
87 mol 134 unq 3 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 6.81259 9.86662 12.5075 8.69531 numMergedOcc 0
88 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 5.49782 8.94367 9.86662 13.9752 numMergedOcc 0
89 mol 134 unq 5 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 5.00817 6.49416 12.5075 9.55584 numMergedOcc 0
90 mol 134 unq 6 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.49782 8.94367 9.86662 7.21868 numMergedOcc 0
91 mol 134 unq 7 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.00817 6.49416 12.5075 11.988 numMergedOcc 0
92 mol 134 unq 8 iso 0 dist 6.37586 8.94367 5.49782 9.33094 10.8635 7.41373 6.81259 9.71307 9.86662 8.69531 numMergedOcc 0
93 mol 134 unq 9 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 6.81259 9.71307 12.5075 8.69531 numMergedOcc 0
94 mol 134 unq 10 iso 0 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 5.00526 6.54501 11.9139 11.2896 numMergedOcc 0
95 mol 134 unq 11 iso 0 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 5.00526 6.54501 9.5126 11.2896 numMergedOcc 0
96 mol 134 unq 12 iso 0 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 5.49782 9.71307 6.37586 7.93372 numMergedOcc 0
97 mol 134 unq 13 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 6.81259 8.94367 6.37586 11.0808 numMergedOcc 0
98 mol 134 unq 14 iso 0 dist 9.86662 9.71307 5.49782 8.69531 7.41373 10.8635 6.81259 8.94367 6.37586 9.33094 numMergedOcc 0
99 mol 134 unq 15 iso 0 dist 9.71307 6.37586 6.81259 9.33924 10.2026 6.95573 5.49782 9.86662 8.94367 13.9752 numMergedOcc 0
100 mol 134 unq 16 iso 0 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 5.49782 9.86662 8.94367 7.21868 numMergedOcc 0
101 mol 134 unq 17 iso 0 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 6.81259 6.37586 8.94367 11.0808 numMergedOcc 0
102 mol 134 unq 18 iso 0 dist 9.71307 9.86662 5.49782 8.69531 10.8635 7.41373 6.81259 6.37586 8.94367 9.33094 numMergedOcc 0
103 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.81207 4.67662 5.81599 5.32922 5.31024 7.26382 6.14151 numMergedOcc 0
104 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 7.18002 13.5913 9.99555 5.32922 5.31024 7.26382 10.7696 numMergedOcc 0
105 mol 142 unq 2 iso 0 dist 9.2313 8.96657 11.1395 7.81207 4.67662 11.1 5.32922 5.31024 11.0824 6.14151 numMergedOcc 0
106 mol 142 unq 3 iso 0 dist 9.2313 8.96657 11.1395 7.18002 13.5913 6.52253 5.32922 5.31024 11.0824 10.7696 numMergedOcc 0
107 mol 142 unq 4 iso 0 dist 5.31024 7.26382 5.50998 6.14151 4.67662 5.81599 5.32922 9.2313 7.73169 7.81207 numMergedOcc 0
108 mol 142 unq 5 iso 0 dist 7.73169 9.2313 5.50998 7.81207 5.81599 4.67662 5.32922 7.26382 5.31024 6.14151 numMergedOcc 0
109 mol 142 unq 6 iso 0 dist 7.73169 9.2313 5.50998 7.18002 9.99555 13.5913 5.32922 7.26382 5.31024 10.7696 numMergedOcc 0
110 mol 142 unq 7 iso 0 dist 7.73169 8.96657 5.92693 7.81207 5.81599 11.1 5.32922 7.26382 11.0824 6.14151 numMergedOcc 0
111 mol 142 unq 8 iso 0 dist 7.73169 8.96657 5.92693 7.18002 9.99555 6.52253 5.32922 7.26382 11.0824 10.7696 numMergedOcc 0
112 mol 142 unq 9 iso 0 dist 7.26382 5.31024 5.50998 6.14151 5.81599 4.67662 5.32922 7.73169 9.2313 7.81207 numMergedOcc 0
113 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 6.70693 4.94983 5.39112 5.49936 8.87437 7.16148 10.4895 numMergedOcc 0
114 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 6.70693 4.94983 9.67475 5.49936 8.87437 8.05741 10.4895 numMergedOcc 0
115 mol 152 unq 2 iso 0 dist 6.70283 5.87555 5.42328 6.70693 5.39112 4.94983 7.65448 8.56324 10.399 6.59889 numMergedOcc 0
116 mol 152 unq 3 iso 0 dist 6.70283 5.87555 5.42328 6.70693 5.39112 4.94983 5.49936 7.16148 8.87437 10.4895 numMergedOcc 0
117 mol 152 unq 4 iso 0 dist 6.70283 8.67331 6.4896 6.70693 5.39112 9.67475 7.65448 8.56324 14.1618 6.59889 numMergedOcc 0
118 mol 152 unq 5 iso 0 dist 6.70283 8.67331 6.4896 6.70693 5.39112 9.67475 5.49936 7.16148 8.05741 10.4895 numMergedOcc 0
119 mol 152 unq 6 iso 0 dist 8.67331 5.87555 5.54906 6.70693 9.67475 4.94983 5.49936 8.05741 8.87437 10.4895 numMergedOcc 0
120 mol 152 unq 7 iso 0 dist 8.67331 6.70283 6.4896 6.70693 9.67475 5.39112 5.49936 8.05741 7.16148 10.4895 numMergedOcc 0
121 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 8.97626 9.16779 4.91785 5.71071 6.23493 10.2463 12.9034 numMergedOcc 0
122 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 8.88798 5.98885 10.7062 13.2783 numMergedOcc 0
123 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 12.1628 9.15386 14.9794 18.2853 numMergedOcc 0
124 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 4.70378 8.95269 9.99123 13.2325 numMergedOcc 0
125 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 8.49799 5.78342 9.16166 6.8692 numMergedOcc 0
126 mol 224 unq 2 iso 0 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 6.77699 6.65832 10.103 6.99769 numMergedOcc 0
127 mol 224 unq 3 iso 0 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 8.49799 9.16166 5.78342 6.8692 numMergedOcc 0
128 mol 224 unq 4 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.5372 8.95269 9.99123 13.2325 numMergedOcc 0
129 mol 224 unq 5 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 8.49799 6.57273 6.60589 8.79428 numMergedOcc 0
130 mol 224 unq 6 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 11.5372 8.95269 14.0676 13.2325 numMergedOcc 0
131 mol 224 unq 7 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 8.49799 6.57273 10.5128 8.79428 numMergedOcc 0
132 mol 224 unq 8 iso 0 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 11.328 6.65832 10.103 6.99769 numMergedOcc 0
133 mol 224 unq 9 iso 0 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 8.49799 6.60589 6.57273 8.79428 numMergedOcc 0
134 mol 224 unq 10 iso 0 dist 9.16166 5.81334 6.91102 6.8692 5.76843 4.54188 11.328 6.65832 10.9745 6.99769 numMergedOcc 0
135 mol 224 unq 11 iso 0 dist 9.16166 5.81334 6.91102 6.8692 5.76843 4.54188 8.49799 6.60589 10.5128 8.79428 numMergedOcc 0
136 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 6.99063 9.34734 10.4905 10.7855 numMergedOcc 0
137 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 5.22356 8.65997 10.8157 6.91318 numMergedOcc 0
138 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 10.8658 7.56888 11.0431 11.2661 numMergedOcc 0
139 mol 227 unq 3 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 12.4689 7.55216 10.0334 12.3663 numMergedOcc 0
140 mol 229 unq 0 iso 0 dist 7.03423 8.22528 5.57838 7.27993 7.22525 5.70473 6.84129 9.06952 13.2905 11.9869 numMergedOcc 0
141 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 5.88703 6.56247 9.36357 11.6391 numMergedOcc 0
142 mol 234 unq 1 iso 0 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 5.88703 9.36357 6.56247 11.6391 numMergedOcc 0
143 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 9.3206 4.27181 4.89609 7.28249 8.03456 6.84306 10.1317 numMergedOcc 0
144 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 9.3206 4.27181 10.5774 7.28249 8.03456 9.99038 10.1317 numMergedOcc 0
145 mol 236 unq 2 iso 0 dist 7.68742 9.81562 5.79505 9.3206 4.89609 4.27181 7.28249 6.84306 8.03456 10.1317 numMergedOcc 0
146 mol 236 unq 3 iso 0 dist 7.68742 6.27581 11.3368 9.3206 4.89609 10.5774 7.28249 6.84306 9.99038 10.1317 numMergedOcc 0
147 mol 236 unq 4 iso 0 dist 6.27581 9.81562 9.90963 9.3206 10.5774 4.27181 7.28249 9.99038 8.03456 10.1317 numMergedOcc 0
148 mol 236 unq 5 iso 0 dist 6.27581 7.68742 11.3368 9.3206 10.5774 4.89609 7.28249 9.99038 6.84306 10.1317 numMergedOcc 0
149 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 9.07743 8.8603 6.73882 4.69778 7.88519 10.5767 7.66153 numMergedOcc 0
150 mol 259 unq 1 iso 0 dist 8.13497 7.88519 4.69778 9.46361 12.2293 11.6988 10.582 8.53687 10.5767 18.7675 numMergedOcc 0
151 mol 259 unq 2 iso 0 dist 7.88519 7.84554 4.86771 9.63573 7.20604 5.05362 4.69778 8.13497 9.95973 12.8229 numMergedOcc 0
152 mol 259 unq 3 iso 0 dist 7.88519 7.84554 4.86771 7.66153 8.8603 5.8801 4.69778 8.13497 9.95973 9.07743 numMergedOcc 0
153 mol 259 unq 4 iso 0 dist 7.88519 7.46176 6.96053 9.63573 7.20604 5.21606 4.69778 8.13497 10.3935 12.8229 numMergedOcc 0
154 mol 259 unq 5 iso 0 dist 7.88519 7.46176 6.96053 7.66153 8.8603 11.8896 4.69778 8.13497 10.3935 9.07743 numMergedOcc 0
155 mol 259 unq 6 iso 0 dist 7.88519 9.18903 10.4881 9.63573 7.20604 7.46841 4.69778 8.13497 12.6839 12.8229 numMergedOcc 0
156 mol 259 unq 7 iso 0 dist 7.88519 9.18903 10.4881 7.66153 8.8603 5.81576 4.69778 8.13497 12.6839 9.07743 numMergedOcc 0
157 mol 259 unq 8 iso 0 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 4.86771 7.84554 9.95973 12.8903 numMergedOcc 0
158 mol 259 unq 9 iso 0 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 6.96053 7.46176 10.3935 6.95511 numMergedOcc 0
159 mol 259 unq 10 iso 0 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 10.4881 9.18903 12.6839 17.104 numMergedOcc 0
