0 mol 16 unq 0 iso 0 dist 6.31718 5.05803 6.92781 10.8455 7.63133 12.5273 5.01101 11.0298 6.42835 15.1441 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 5.05803 6.92781 10.8455 7.63133 12.5273 4.65873 8.43054 6.57331 9.81307 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.13395 8.80331 10.5523 5.07458 10.0168 6.66407 10.8828 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 5.06502 5.73819 10.5523 5.41726 6.75943 6.6263 4.96926 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 6.20293 8.80331 8.13395 6.45462 8.93915 14.7803 5.41726 6.75943 6.6263 10.0383 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 10.6169 9.4099 15.2973 5.61579 13.1897 5.38524 15.561 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.55426 7.32874 5.90225 10.6169 9.4099 11.396 5.61579 13.1897 8.69057 15.561 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.55426 9.4099 10.6169 9.7274 6.81627 15.2973 8.55984 15.6595 9.08221 18.0072 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.55426 9.4099 10.6169 5.90225 7.32874 11.396 8.55984 15.6595 9.08221 14.0406 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 6.65595 8.90863 6.54743 4.73512 9.25011 10.0828 8.27828 12.544 9.95132 5.96376 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 6.65595 8.90863 6.54743 4.73512 9.25011 10.0828 7.80499 7.57295 7.48086 5.6397 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 6.65595 8.90863 6.54743 10.6819 6.43294 11.5843 8.27828 12.544 9.95132 16.1296 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 6.65595 8.90863 6.54743 10.6819 6.43294 11.5843 7.80499 7.57295 7.48086 8.62476 numMergedOcc 0
13 mol 60 unq 4 iso 0 dist 6.65595 8.90863 6.54743 8.93946 8.52121 12.4757 8.27828 12.544 9.95132 13.1523 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 6.65595 8.90863 6.54743 8.93946 8.52121 12.4757 7.80499 7.57295 7.48086 6.55502 numMergedOcc 0
15 mol 60 unq 6 iso 0 dist 6.43294 8.7531 5.67502 10.6819 6.65595 11.1899 8.62476 7.57295 8.4312 7.80499 numMergedOcc 0
16 mol 60 unq 7 iso 0 dist 6.43294 8.7531 5.67502 11.3621 9.25011 12.4656 8.62476 7.57295 8.4312 5.6397 numMergedOcc 0
17 mol 60 unq 8 iso 0 dist 6.43294 8.7531 5.67502 5.51199 8.52121 11.6311 8.62476 7.57295 8.4312 6.55502 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 10.7394 8.8178 9.84449 7.47371 7.12321 6.21799 4.27726 numMergedOcc 0
19 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 10.7394 8.8178 9.84449 9.67587 9.35457 5.03251 5.93202 numMergedOcc 0
20 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 10.7394 8.8178 9.84449 7.07356 12.1131 7.66093 8.7566 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 15.7123 9.38498 10.2049 6.20232 12.2276 8.68662 18.7673 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 15.7123 9.38498 10.2049 5.70116 9.73086 7.4369 17.4121 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 9.96396 6.19304 5.4148 12.016 9.75218 11.6369 6.20232 12.2276 8.68662 17.2422 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 9.96396 6.19304 5.4148 12.016 9.75218 11.6369 5.70116 9.73086 7.4369 14.844 numMergedOcc 0
25 mol 73 unq 4 iso 0 dist 9.96396 8.70481 14.9342 15.7123 9.38498 20.257 11.2069 13.3207 5.5087 19.0013 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 9.96396 8.70481 14.9342 15.7123 9.38498 20.257 10.6713 14.498 6.08682 21.9204 numMergedOcc 0
27 mol 73 unq 6 iso 0 dist 9.96396 8.70481 14.9342 12.016 9.75218 10.1207 11.2069 13.3207 5.5087 6.19168 numMergedOcc 0
28 mol 73 unq 7 iso 0 dist 9.96396 8.70481 14.9342 12.016 9.75218 10.1207 10.6713 14.498 6.08682 10.532 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 6.9948 7.47541 7.66905 4.41789 10.2413 7.7068 5.59906 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 6.9948 7.97049 6.19965 5.59906 10.2413 7.7068 4.41789 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 9.35224 9.60661 7.80879 5.88134 6.56369 6.65086 4.03277 11.5088 8.91882 6.23008 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 5.33144 6.45675 10.1409 6.23008 9.76432 8.91882 5.16579 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 10.1407 8.86688 14.9102 6.23008 9.76432 8.91882 14.4607 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 5.9143 11.9928 7.82475 9.70168 numMergedOcc 0
35 mol 100 unq 4 iso 0 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 5.47563 9.94341 5.35782 10.8282 numMergedOcc 0
36 mol 100 unq 5 iso 0 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 5.9143 10.694 7.82475 9.70168 numMergedOcc 0
37 mol 100 unq 6 iso 0 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 5.47563 9.82522 5.35782 10.8282 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 6.56369 6.65086 7.80879 5.88134 9.35224 9.60661 6.23008 11.5088 8.91882 4.03277 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 9.33865 5.83991 7.69052 8.02349 6.11741 7.88312 4.48636 13.4105 7.69765 11.835 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 8.02349 6.11741 7.88312 6.63111 6.39384 9.42082 6.07067 numMergedOcc 0
41 mol 115 unq 2 iso 0 dist 5.83991 7.30858 10.8507 7.69052 9.33865 13.8473 5.03039 10.5599 6.04595 11.1447 numMergedOcc 0
42 mol 115 unq 3 iso 0 dist 5.83991 9.33865 7.69052 10.8507 7.30858 13.8473 6.63111 9.42082 6.39384 15.3161 numMergedOcc 0
43 mol 115 unq 4 iso 0 dist 5.83991 9.33865 7.69052 8.02349 7.88312 6.11741 6.63111 9.42082 6.39384 6.07067 numMergedOcc 0
44 mol 115 unq 5 iso 0 dist 6.11741 9.33865 8.02349 7.69052 7.88312 5.83991 6.95773 10.0255 6.24825 6.01673 numMergedOcc 0
45 mol 115 unq 6 iso 0 dist 6.11741 7.88312 7.69052 8.02349 9.33865 5.83991 11.835 13.4105 7.69765 4.48636 numMergedOcc 0
46 mol 115 unq 7 iso 0 dist 6.11741 7.88312 7.69052 8.02349 9.33865 5.83991 6.07067 6.39384 9.42082 6.63111 numMergedOcc 0
47 mol 115 unq 8 iso 0 dist 7.88312 7.30858 11.5723 7.69052 6.11741 13.8473 5.03039 11.8378 6.04595 11.1447 numMergedOcc 0
48 mol 115 unq 9 iso 0 dist 7.88312 5.83991 8.02349 7.69052 6.11741 9.33865 6.01673 10.0255 6.24825 6.95773 numMergedOcc 0
49 mol 115 unq 10 iso 0 dist 7.88312 6.11741 7.69052 11.5723 7.30858 13.8473 6.07067 9.42082 6.39384 15.3161 numMergedOcc 0
50 mol 115 unq 11 iso 0 dist 7.88312 6.11741 7.69052 8.02349 5.83991 9.33865 6.07067 9.42082 6.39384 6.63111 numMergedOcc 0
51 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 13.1058 9.84395 16.5575 3.55765 10.4223 8.19331 15.7476 numMergedOcc 0
52 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 13.1058 9.84395 17.163 3.55765 10.4223 8.85711 15.7476 numMergedOcc 0
53 mol 133 unq 0 iso 0 dist 9.52634 7.24514 7.6656 9.56949 6.5107 12.0352 5.03174 13.5471 8.26547 14.5233 numMergedOcc 0
54 mol 133 unq 1 iso 0 dist 7.24514 8.22656 6.65743 6.761 9.91388 10.0372 6.9945 10.4642 7.22643 11.8451 numMergedOcc 0
55 mol 133 unq 2 iso 0 dist 7.24514 8.22656 6.65743 7.6656 9.52634 13.4163 6.9945 10.4642 7.22643 14.6139 numMergedOcc 0
56 mol 133 unq 3 iso 0 dist 8.22656 6.82262 5.61668 6.65743 7.24514 10.2995 4.88025 8.26547 9.05342 5.03174 numMergedOcc 0
57 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.79898 9.89303 9.93925 12.3479 11.2896 9.33094 10.6898 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 5.49782 6.37586 9.71307 12.8086 11.0808 9.1998 15.0225 numMergedOcc 0
59 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 5.49782 6.37586 9.71307 7.41373 9.33094 8.69531 10.8635 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 8.94367 9.86662 6.81259 8.80819 6.49416 12.5075 12.8086 11.0808 9.1998 15.9138 numMergedOcc 0
61 mol 134 unq 4 iso 0 dist 8.94367 9.86662 6.81259 8.80819 6.49416 12.5075 7.41373 9.33094 8.69531 12.3479 numMergedOcc 0
62 mol 134 unq 5 iso 0 dist 8.94367 6.37586 5.49782 6.81259 9.86662 9.71307 6.95573 13.9752 9.33924 10.2026 numMergedOcc 0
63 mol 134 unq 6 iso 0 dist 8.94367 6.37586 5.49782 6.81259 9.86662 9.71307 8.06642 7.21868 7.93372 4.00092 numMergedOcc 0
64 mol 134 unq 7 iso 0 dist 6.37586 9.71307 6.81259 5.49782 8.94367 9.86662 15.0225 11.0808 9.1998 12.8086 numMergedOcc 0
65 mol 134 unq 8 iso 0 dist 6.37586 9.71307 6.81259 5.49782 8.94367 9.86662 10.8635 9.33094 8.69531 7.41373 numMergedOcc 0
66 mol 134 unq 9 iso 0 dist 6.37586 9.71307 6.81259 5.00817 6.49416 12.5075 15.0225 11.0808 9.1998 15.9138 numMergedOcc 0
67 mol 134 unq 10 iso 0 dist 6.37586 9.71307 6.81259 5.00817 6.49416 12.5075 10.8635 9.33094 8.69531 12.3479 numMergedOcc 0
68 mol 134 unq 11 iso 0 dist 6.37586 8.94367 5.49782 6.81259 9.71307 9.86662 8.06642 7.93372 7.21868 4.00092 numMergedOcc 0
69 mol 134 unq 12 iso 0 dist 6.49416 8.94367 8.80819 5.00526 6.54501 11.9139 8.06642 11.988 7.21868 12.847 numMergedOcc 0
70 mol 134 unq 13 iso 0 dist 6.49416 6.37586 5.00817 5.00526 6.54501 9.5126 6.95573 9.55584 9.33924 9.45357 numMergedOcc 0
71 mol 134 unq 14 iso 0 dist 6.49416 6.37586 5.00817 5.00526 6.54501 9.5126 8.06642 11.988 7.93372 12.847 numMergedOcc 0
72 mol 134 unq 15 iso 0 dist 9.86662 8.94367 6.81259 5.49782 9.71307 6.37586 7.41373 8.69531 9.33094 10.8635 numMergedOcc 0
73 mol 134 unq 16 iso 0 dist 9.86662 9.71307 5.49782 6.81259 8.94367 6.37586 10.2026 13.9752 9.33924 6.95573 numMergedOcc 0
74 mol 134 unq 17 iso 0 dist 9.86662 9.71307 5.49782 6.81259 8.94367 6.37586 4.00092 7.21868 7.93372 8.06642 numMergedOcc 0
75 mol 134 unq 18 iso 0 dist 9.71307 6.37586 6.81259 5.49782 9.86662 8.94367 10.8635 8.69531 9.33094 7.41373 numMergedOcc 0
76 mol 134 unq 19 iso 0 dist 9.71307 9.86662 5.49782 6.81259 6.37586 8.94367 4.00092 7.93372 7.21868 8.06642 numMergedOcc 0
77 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 5.50998 7.73169 7.26382 4.67662 7.81207 6.14151 5.81599 numMergedOcc 0
78 mol 142 unq 1 iso 0 dist 9.2313 5.31024 5.32922 11.1395 8.96657 11.0824 4.67662 7.81207 6.14151 11.1 numMergedOcc 0
79 mol 142 unq 2 iso 0 dist 5.31024 9.2313 5.32922 5.50998 7.26382 7.73169 4.67662 6.14151 7.81207 5.81599 numMergedOcc 0
80 mol 142 unq 3 iso 0 dist 5.31024 9.2313 5.32922 5.50998 7.26382 7.73169 13.5913 10.7696 7.18002 9.99555 numMergedOcc 0
81 mol 142 unq 4 iso 0 dist 7.73169 7.26382 5.32922 5.50998 9.2313 5.31024 5.81599 7.81207 6.14151 4.67662 numMergedOcc 0
82 mol 142 unq 5 iso 0 dist 7.73169 7.26382 5.32922 5.92693 8.96657 11.0824 5.81599 7.81207 6.14151 11.1 numMergedOcc 0
83 mol 142 unq 6 iso 0 dist 7.26382 7.73169 5.32922 5.50998 5.31024 9.2313 5.81599 6.14151 7.81207 4.67662 numMergedOcc 0
84 mol 142 unq 7 iso 0 dist 7.26382 7.73169 5.32922 5.50998 5.31024 9.2313 9.99555 10.7696 7.18002 13.5913 numMergedOcc 0
85 mol 152 unq 0 iso 0 dist 8.87437 5.87555 5.49936 5.42328 7.16148 6.70283 4.94983 10.4895 6.70693 5.39112 numMergedOcc 0
86 mol 152 unq 1 iso 0 dist 8.87437 5.87555 5.49936 5.54906 8.05741 8.67331 4.94983 10.4895 6.70693 9.67475 numMergedOcc 0
87 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 5.42328 5.87555 10.399 5.39112 6.70693 6.59889 4.94983 numMergedOcc 0
88 mol 152 unq 3 iso 0 dist 6.70283 8.56324 7.65448 5.42328 5.87555 10.399 4.84714 9.27706 8.9192 5.97582 numMergedOcc 0
89 mol 152 unq 4 iso 0 dist 6.70283 8.56324 7.65448 6.4896 8.67331 14.1618 5.39112 6.70693 6.59889 9.67475 numMergedOcc 0
90 mol 152 unq 5 iso 0 dist 6.70283 8.56324 7.65448 6.4896 8.67331 14.1618 4.84714 9.27706 8.9192 9.20746 numMergedOcc 0
91 mol 152 unq 6 iso 0 dist 7.16148 8.56324 10.6875 5.42328 8.87437 10.399 5.39112 10.4895 6.59889 4.94983 numMergedOcc 0
92 mol 152 unq 7 iso 0 dist 7.16148 8.56324 10.6875 5.42328 8.87437 10.399 4.84714 11.6735 8.9192 5.97582 numMergedOcc 0
93 mol 152 unq 8 iso 0 dist 7.16148 8.56324 10.6875 6.4896 8.05741 14.1618 5.39112 10.4895 6.59889 9.67475 numMergedOcc 0
94 mol 152 unq 9 iso 0 dist 7.16148 8.56324 10.6875 6.4896 8.05741 14.1618 4.84714 11.6735 8.9192 9.20746 numMergedOcc 0
95 mol 152 unq 10 iso 0 dist 7.16148 6.70283 5.49936 5.42328 8.87437 5.87555 5.39112 10.4895 6.70693 4.94983 numMergedOcc 0
96 mol 152 unq 11 iso 0 dist 7.16148 6.70283 5.49936 6.4896 8.05741 8.67331 5.39112 10.4895 6.70693 9.67475 numMergedOcc 0
97 mol 152 unq 12 iso 0 dist 8.05741 8.67331 5.49936 5.54906 8.87437 5.87555 9.67475 10.4895 6.70693 4.94983 numMergedOcc 0
98 mol 152 unq 13 iso 0 dist 8.05741 8.67331 5.49936 6.4896 7.16148 6.70283 9.67475 10.4895 6.70693 5.39112 numMergedOcc 0
99 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 10.1912 9.09537 15.0228 12.9532 13.2783 9.76212 12.7791 numMergedOcc 0
100 mol 186 unq 0 iso 0 dist 8.87694 7.54065 5.74635 9.50685 9.09754 10.7914 11.0961 11.456 6.61112 12.4091 numMergedOcc 0
101 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 5.0744 6.60589 9.16166 7.05804 8.79428 6.8692 5.76843 numMergedOcc 0
102 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 5.0744 6.57273 10.103 5.76843 8.79428 6.99769 7.05804 numMergedOcc 0
103 mol 224 unq 2 iso 0 dist 6.60589 9.16166 8.49799 5.0744 6.57273 5.78342 5.76843 8.79428 6.8692 7.05804 numMergedOcc 0
104 mol 224 unq 3 iso 0 dist 5.78342 6.57273 8.49799 5.0744 9.16166 6.60589 7.05804 6.8692 8.79428 5.76843 numMergedOcc 0
105 mol 224 unq 4 iso 0 dist 5.78342 6.57273 8.49799 5.60236 5.81334 10.5128 7.05804 6.8692 8.79428 4.54188 numMergedOcc 0
106 mol 224 unq 5 iso 0 dist 9.16166 6.65832 11.328 5.0744 5.78342 10.103 5.76843 6.8692 6.99769 7.05804 numMergedOcc 0
107 mol 224 unq 6 iso 0 dist 9.16166 6.65832 11.328 6.91102 5.81334 10.9745 5.76843 6.8692 6.99769 4.54188 numMergedOcc 0
108 mol 224 unq 7 iso 0 dist 9.16166 6.60589 8.49799 5.0744 5.78342 6.57273 5.76843 6.8692 8.79428 7.05804 numMergedOcc 0
109 mol 224 unq 8 iso 0 dist 9.16166 6.60589 8.49799 6.91102 5.81334 10.5128 5.76843 6.8692 8.79428 4.54188 numMergedOcc 0
110 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 4.39704 7.09863 10.8157 5.0317 5.23634 6.91318 5.83175 numMergedOcc 0
111 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 6.29886 8.34494 12.9605 12.4252 11.6391 7.81215 14.898 numMergedOcc 0
112 mol 234 unq 1 iso 0 dist 6.56247 9.45496 5.88703 7.82322 9.36357 6.7625 12.4252 11.6391 7.81215 5.75498 numMergedOcc 0
113 mol 234 unq 2 iso 0 dist 9.36357 6.7625 5.88703 12.1694 8.34494 12.9605 5.75498 11.6391 7.81215 14.898 numMergedOcc 0
114 mol 234 unq 3 iso 0 dist 9.36357 6.7625 5.88703 7.82322 6.56247 9.45496 5.75498 11.6391 7.81215 12.4252 numMergedOcc 0
115 mol 236 unq 0 iso 0 dist 8.03456 9.81562 7.28249 5.79505 6.84306 7.68742 4.27181 10.1317 9.3206 4.89609 numMergedOcc 0
116 mol 236 unq 1 iso 0 dist 8.03456 9.81562 7.28249 9.90963 9.99038 6.27581 4.27181 10.1317 9.3206 10.5774 numMergedOcc 0
117 mol 236 unq 2 iso 0 dist 8.03456 9.81562 7.28249 6.96005 9.78037 13.499 4.27181 10.1317 9.3206 11.0923 numMergedOcc 0
118 mol 236 unq 3 iso 0 dist 8.03456 9.81562 7.28249 14.2337 8.35971 11.2141 4.27181 10.1317 9.3206 16.9105 numMergedOcc 0
119 mol 236 unq 4 iso 0 dist 6.84306 7.68742 7.28249 5.79505 8.03456 9.81562 4.89609 10.1317 9.3206 4.27181 numMergedOcc 0
120 mol 236 unq 5 iso 0 dist 6.84306 7.68742 7.28249 11.3368 9.99038 6.27581 4.89609 10.1317 9.3206 10.5774 numMergedOcc 0
121 mol 236 unq 6 iso 0 dist 6.84306 7.68742 7.28249 11.8739 9.78037 13.499 4.89609 10.1317 9.3206 11.0923 numMergedOcc 0
122 mol 236 unq 7 iso 0 dist 6.84306 7.68742 7.28249 14.7998 8.35971 11.2141 4.89609 10.1317 9.3206 16.9105 numMergedOcc 0
123 mol 236 unq 8 iso 0 dist 9.99038 6.27581 7.28249 9.90963 8.03456 9.81562 10.5774 10.1317 9.3206 4.27181 numMergedOcc 0
124 mol 236 unq 9 iso 0 dist 9.99038 6.27581 7.28249 11.3368 6.84306 7.68742 10.5774 10.1317 9.3206 4.89609 numMergedOcc 0
125 mol 236 unq 10 iso 0 dist 9.99038 6.27581 7.28249 11.1557 9.78037 13.499 10.5774 10.1317 9.3206 11.0923 numMergedOcc 0
126 mol 236 unq 11 iso 0 dist 9.99038 6.27581 7.28249 10.7497 8.35971 11.2141 10.5774 10.1317 9.3206 16.9105 numMergedOcc 0
127 mol 236 unq 12 iso 0 dist 8.35971 8.04248 7.43758 14.2337 8.03456 15.1853 4.66414 11.5798 8.23087 17.777 numMergedOcc 0
128 mol 236 unq 13 iso 0 dist 8.35971 8.04248 7.43758 14.7998 6.84306 13.5269 4.66414 11.5798 8.23087 18.3836 numMergedOcc 0
129 mol 236 unq 14 iso 0 dist 8.35971 8.04248 7.43758 10.7497 9.99038 15.7308 4.66414 11.5798 8.23087 15.3396 numMergedOcc 0
130 mol 236 unq 15 iso 0 dist 8.35971 8.04248 7.43758 12.0369 9.78037 14.9122 4.66414 11.5798 8.23087 14.5556 numMergedOcc 0
131 mol 252 unq 0 iso 0 dist 8.33025 7.19638 14.9102 6.0987 8.1148 10.5136 7.40852 13.1298 7.15764 5.6214 numMergedOcc 0
132 mol 252 unq 1 iso 0 dist 9.2288 7.19638 11.7918 6.0987 8.1715 10.5136 7.40852 10.5687 7.15764 5.6214 numMergedOcc 0
133 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 10.582 8.53687 10.5767 7.20604 12.8229 9.63573 15.3689 numMergedOcc 0
134 mol 259 unq 1 iso 0 dist 8.13497 7.88519 4.69778 10.582 8.53687 10.5767 8.8603 9.07743 7.66153 6.73882 numMergedOcc 0
135 mol 259 unq 2 iso 0 dist 7.88519 7.46176 6.96053 4.69778 8.13497 10.3935 10.067 10.3406 5.85442 11.4598 numMergedOcc 0
136 mol 259 unq 3 iso 0 dist 7.88519 7.46176 6.96053 4.69778 8.13497 10.3935 11.6988 9.46361 6.95511 12.2293 numMergedOcc 0
137 mol 259 unq 4 iso 0 dist 7.88519 8.13497 4.69778 4.86771 7.84554 9.95973 8.8603 7.66153 9.07743 5.8801 numMergedOcc 0
138 mol 259 unq 5 iso 0 dist 7.88519 8.13497 4.69778 6.96053 7.46176 10.3935 8.8603 7.66153 9.07743 11.8896 numMergedOcc 0
139 mol 259 unq 6 iso 0 dist 7.88519 8.13497 4.69778 10.4881 9.18903 12.6839 8.8603 7.66153 9.07743 5.81576 numMergedOcc 0
