0 mol 18 unq 0 iso 0 dist 7.37356 7.426 9.51761 7.53082 7.3094 9.70492 6.82841 5.65084 12.6536 9.36767 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.37356 7.53082 7.3094 7.426 9.51761 9.70492 6.82841 5.65084 9.36767 12.6536 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 15.6642 7.17969 4.33106 4.54526 4.79873 10.2864 11.4148 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 4.54526 4.79873 11.4148 10.2864 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.94828 14.2406 7.57578 15.6642 7.17969 4.33106 16.0229 9.48085 5.18617 5.68041 numMergedOcc 0
5 mol 25 unq 1 iso 1 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 16.0229 9.48085 5.68041 5.18617 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 16.2349 9.96708 10.7394 12.6194 7.12321 4.27726 7.47371 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 9.43143 16.2349 9.96708 10.5786 8.8178 10.7394 12.6194 7.12321 7.47371 4.27726 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 10.6185 9.55118 5.69391 9.78221 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 5.48831 10.5933 9.78528 13.0773 9.96708 8.24309 10.6185 9.55118 9.78221 5.69391 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 4.89334 9.10345 13.4212 11.6634 numMergedOcc 0
11 mol 72 unq 2 iso 1 dist 5.48831 10.5933 9.78528 13.0773 9.96708 8.24309 4.89334 9.10345 11.6634 13.4212 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 7.4052 8.83255 6.59319 12.4753 8.27883 4.99174 8.67311 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 6.86713 7.4052 8.83255 10.3731 9.03572 6.59319 12.4753 8.27883 8.67311 4.99174 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 6.86713 10.3731 9.03572 7.4052 8.83255 6.59319 6.52247 5.75428 4.46005 3.94293 numMergedOcc 0
15 mol 95 unq 1 iso 1 dist 6.86713 7.4052 8.83255 10.3731 9.03572 6.59319 6.52247 5.75428 3.94293 4.46005 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 6.86713 10.3731 9.03572 7.4052 8.83255 6.59319 5.89506 8.57395 8.28518 9.22202 numMergedOcc 0
17 mol 95 unq 2 iso 1 dist 6.86713 7.4052 8.83255 10.3731 9.03572 6.59319 5.89506 8.57395 9.22202 8.28518 numMergedOcc 0
18 mol 95 unq 3 iso 0 dist 6.86713 10.3731 9.03572 7.4052 8.83255 6.59319 6.40728 9.85409 15.917 13.7484 numMergedOcc 0
19 mol 95 unq 3 iso 1 dist 6.86713 7.4052 8.83255 10.3731 9.03572 6.59319 6.40728 9.85409 13.7484 15.917 numMergedOcc 0
20 mol 95 unq 4 iso 0 dist 6.86713 10.3731 9.03572 9.70895 8.03644 16.6055 12.4753 8.27883 4.99174 15.6249 numMergedOcc 0
21 mol 95 unq 4 iso 1 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 12.4753 8.27883 15.6249 4.99174 numMergedOcc 0
22 mol 95 unq 5 iso 0 dist 6.86713 10.3731 9.03572 9.70895 8.03644 16.6055 6.52247 5.75428 4.46005 12.4896 numMergedOcc 0
23 mol 95 unq 5 iso 1 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 6.52247 5.75428 12.4896 4.46005 numMergedOcc 0
24 mol 95 unq 6 iso 0 dist 6.86713 10.3731 9.03572 9.70895 8.03644 16.6055 5.89506 8.57395 8.28518 14.2178 numMergedOcc 0
25 mol 95 unq 6 iso 1 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 5.89506 8.57395 14.2178 8.28518 numMergedOcc 0
26 mol 95 unq 7 iso 0 dist 6.86713 10.3731 9.03572 9.70895 8.03644 16.6055 6.40728 9.85409 15.917 8.78079 numMergedOcc 0
27 mol 95 unq 7 iso 1 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 6.40728 9.85409 8.78079 15.917 numMergedOcc 0
28 mol 95 unq 4 iso 0 dist 6.86713 7.4052 8.83255 9.70895 8.03644 13.8105 12.4753 8.27883 8.67311 15.6249 numMergedOcc 0
29 mol 95 unq 4 iso 1 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 12.4753 8.27883 15.6249 8.67311 numMergedOcc 0
30 mol 95 unq 5 iso 0 dist 6.86713 7.4052 8.83255 9.70895 8.03644 13.8105 6.52247 5.75428 3.94293 12.4896 numMergedOcc 0
31 mol 95 unq 5 iso 1 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 6.52247 5.75428 12.4896 3.94293 numMergedOcc 0
32 mol 95 unq 6 iso 0 dist 6.86713 7.4052 8.83255 9.70895 8.03644 13.8105 5.89506 8.57395 9.22202 14.2178 numMergedOcc 0
33 mol 95 unq 6 iso 1 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 5.89506 8.57395 14.2178 9.22202 numMergedOcc 0
34 mol 95 unq 7 iso 0 dist 6.86713 7.4052 8.83255 9.70895 8.03644 13.8105 6.40728 9.85409 13.7484 8.78079 numMergedOcc 0
35 mol 95 unq 7 iso 1 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 6.40728 9.85409 8.78079 13.7484 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 5.61003 6.82262 5.61668 6.30012 7.22643 6.9945 4.19723 numMergedOcc 0
37 mol 133 unq 0 iso 1 dist 7.5055 5.61003 6.82262 10.9541 8.22656 5.61668 6.30012 7.22643 4.19723 6.9945 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 9.00172 13.2145 6.29155 15.719 6.80239 7.81217 7.44092 8.77023 13.0405 13.7612 numMergedOcc 0
39 mol 133 unq 1 iso 1 dist 9.00172 15.719 6.80239 13.2145 6.29155 7.81217 7.44092 8.77023 13.7612 13.0405 numMergedOcc 0
40 mol 133 unq 2 iso 0 dist 9.00172 13.2145 6.29155 14.0905 8.00618 11.965 7.44092 8.77023 13.0405 15.0115 numMergedOcc 0
41 mol 133 unq 2 iso 1 dist 9.00172 14.0905 8.00618 13.2145 6.29155 11.965 7.44092 8.77023 15.0115 13.0405 numMergedOcc 0
42 mol 133 unq 2 iso 0 dist 9.00172 15.719 6.80239 14.0905 8.00618 7.79672 7.44092 8.77023 13.7612 15.0115 numMergedOcc 0
43 mol 133 unq 2 iso 1 dist 9.00172 14.0905 8.00618 15.719 6.80239 7.79672 7.44092 8.77023 15.0115 13.7612 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 16.7911 9.71307 6.81259 14.2595 9.33924 6.95573 10.2026 numMergedOcc 0
45 mol 134 unq 0 iso 1 dist 8.84656 16.7911 9.71307 10.879 6.37586 6.81259 14.2595 9.33924 10.2026 6.95573 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 16.7911 9.71307 6.81259 15.9796 7.93372 8.06642 4.00092 numMergedOcc 0
47 mol 134 unq 1 iso 1 dist 8.84656 16.7911 9.71307 10.879 6.37586 6.81259 15.9796 7.93372 4.00092 8.06642 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 4.72407 9.1998 12.8086 15.0225 numMergedOcc 0
49 mol 134 unq 2 iso 1 dist 5.79157 14.1608 9.71307 13.0109 9.86662 5.49782 4.72407 9.1998 15.0225 12.8086 numMergedOcc 0
50 mol 134 unq 3 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 7.97297 8.69531 7.41373 10.8635 numMergedOcc 0
51 mol 134 unq 3 iso 1 dist 5.79157 14.1608 9.71307 13.0109 9.86662 5.49782 7.97297 8.69531 10.8635 7.41373 numMergedOcc 0
52 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.5268 7.73169 5.50998 13.5413 7.81207 4.67662 5.81599 numMergedOcc 0
53 mol 142 unq 0 iso 1 dist 8.86346 13.5268 7.73169 16.7609 9.2313 5.50998 13.5413 7.81207 5.81599 4.67662 numMergedOcc 0
54 mol 142 unq 1 iso 0 dist 8.86346 16.7609 9.2313 13.5268 7.73169 5.50998 10.4327 7.18002 13.5913 9.99555 numMergedOcc 0
55 mol 142 unq 1 iso 1 dist 8.86346 13.5268 7.73169 16.7609 9.2313 5.50998 10.4327 7.18002 9.99555 13.5913 numMergedOcc 0
56 mol 142 unq 2 iso 0 dist 8.86346 16.7609 9.2313 12.1759 8.96657 11.1395 13.5413 7.81207 4.67662 11.1 numMergedOcc 0
57 mol 142 unq 2 iso 1 dist 8.86346 12.1759 8.96657 16.7609 9.2313 11.1395 13.5413 7.81207 11.1 4.67662 numMergedOcc 0
58 mol 142 unq 3 iso 0 dist 8.86346 16.7609 9.2313 12.1759 8.96657 11.1395 10.4327 7.18002 13.5913 6.52253 numMergedOcc 0
59 mol 142 unq 3 iso 1 dist 8.86346 12.1759 8.96657 16.7609 9.2313 11.1395 10.4327 7.18002 6.52253 13.5913 numMergedOcc 0
60 mol 142 unq 2 iso 0 dist 8.86346 13.5268 7.73169 12.1759 8.96657 5.92693 13.5413 7.81207 5.81599 11.1 numMergedOcc 0
61 mol 142 unq 2 iso 1 dist 8.86346 12.1759 8.96657 13.5268 7.73169 5.92693 13.5413 7.81207 11.1 5.81599 numMergedOcc 0
62 mol 142 unq 3 iso 0 dist 8.86346 13.5268 7.73169 12.1759 8.96657 5.92693 10.4327 7.18002 9.99555 6.52253 numMergedOcc 0
63 mol 142 unq 3 iso 1 dist 8.86346 12.1759 8.96657 13.5268 7.73169 5.92693 10.4327 7.18002 6.52253 9.99555 numMergedOcc 0
64 mol 142 unq 4 iso 0 dist 4.93681 12.8283 9.2313 10.1677 7.73169 5.50998 9.85239 7.81207 4.67662 5.81599 numMergedOcc 0
65 mol 142 unq 4 iso 1 dist 4.93681 10.1677 7.73169 12.8283 9.2313 5.50998 9.85239 7.81207 5.81599 4.67662 numMergedOcc 0
66 mol 142 unq 5 iso 0 dist 4.93681 12.8283 9.2313 10.1677 7.73169 5.50998 8.64092 7.18002 13.5913 9.99555 numMergedOcc 0
67 mol 142 unq 5 iso 1 dist 4.93681 10.1677 7.73169 12.8283 9.2313 5.50998 8.64092 7.18002 9.99555 13.5913 numMergedOcc 0
68 mol 142 unq 6 iso 0 dist 4.93681 12.8283 9.2313 10.0866 8.96657 11.1395 9.85239 7.81207 4.67662 11.1 numMergedOcc 0
69 mol 142 unq 6 iso 1 dist 4.93681 10.0866 8.96657 12.8283 9.2313 11.1395 9.85239 7.81207 11.1 4.67662 numMergedOcc 0
70 mol 142 unq 7 iso 0 dist 4.93681 12.8283 9.2313 10.0866 8.96657 11.1395 8.64092 7.18002 13.5913 6.52253 numMergedOcc 0
71 mol 142 unq 7 iso 1 dist 4.93681 10.0866 8.96657 12.8283 9.2313 11.1395 8.64092 7.18002 6.52253 13.5913 numMergedOcc 0
72 mol 142 unq 6 iso 0 dist 4.93681 10.1677 7.73169 10.0866 8.96657 5.92693 9.85239 7.81207 5.81599 11.1 numMergedOcc 0
73 mol 142 unq 6 iso 1 dist 4.93681 10.0866 8.96657 10.1677 7.73169 5.92693 9.85239 7.81207 11.1 5.81599 numMergedOcc 0
74 mol 142 unq 7 iso 0 dist 4.93681 10.1677 7.73169 10.0866 8.96657 5.92693 8.64092 7.18002 9.99555 6.52253 numMergedOcc 0
75 mol 142 unq 7 iso 1 dist 4.93681 10.0866 8.96657 10.1677 7.73169 5.92693 8.64092 7.18002 6.52253 9.99555 numMergedOcc 0
76 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 13.0519 6.43573 5.34677 12.8554 9.11204 8.44333 6.8202 numMergedOcc 0
77 mol 178 unq 0 iso 1 dist 8.04723 13.0519 6.43573 14.4072 6.69288 5.34677 12.8554 9.11204 6.8202 8.44333 numMergedOcc 0
78 mol 178 unq 1 iso 0 dist 8.04723 14.4072 6.69288 10.5681 7.17202 11.7381 12.8554 9.11204 8.44333 14.9499 numMergedOcc 0
79 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 14.4072 6.69288 11.7381 12.8554 9.11204 14.9499 8.44333 numMergedOcc 0
80 mol 178 unq 2 iso 0 dist 8.04723 14.4072 6.69288 9.1499 8.81551 14.0703 12.8554 9.11204 8.44333 14.2467 numMergedOcc 0
81 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 14.4072 6.69288 14.0703 12.8554 9.11204 14.2467 8.44333 numMergedOcc 0
82 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 10.5681 7.17202 9.89739 12.8554 9.11204 6.8202 14.9499 numMergedOcc 0
83 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 13.0519 6.43573 9.89739 12.8554 9.11204 14.9499 6.8202 numMergedOcc 0
84 mol 178 unq 2 iso 0 dist 8.04723 13.0519 6.43573 9.1499 8.81551 10.5529 12.8554 9.11204 6.8202 14.2467 numMergedOcc 0
85 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 13.0519 6.43573 10.5529 12.8554 9.11204 14.2467 6.8202 numMergedOcc 0
86 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 9.1499 8.81551 5.18005 12.8554 9.11204 14.9499 14.2467 numMergedOcc 0
87 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 10.5681 7.17202 5.18005 12.8554 9.11204 14.2467 14.9499 numMergedOcc 0
88 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 12.397 7.45763 11.8283 12.7286 6.49765 10.6504 8.67921 numMergedOcc 0
89 mol 205 unq 0 iso 1 dist 8.57514 12.397 7.45763 5.56395 9.61492 11.8283 12.7286 6.49765 8.67921 10.6504 numMergedOcc 0
90 mol 205 unq 1 iso 0 dist 6.11505 9.35174 9.61492 11.3225 7.45763 11.8283 12.0822 6.49765 10.6504 8.67921 numMergedOcc 0
91 mol 205 unq 1 iso 1 dist 6.11505 11.3225 7.45763 9.35174 9.61492 11.8283 12.0822 6.49765 8.67921 10.6504 numMergedOcc 0
92 mol 238 unq 0 iso 0 dist 8.97461 10.4685 6.22714 11.6506 7.31233 5.34096 17.3901 9.08509 12.7938 11.0772 numMergedOcc 0
93 mol 238 unq 0 iso 1 dist 8.97461 11.6506 7.31233 10.4685 6.22714 5.34096 17.3901 9.08509 11.0772 12.7938 numMergedOcc 0
