0 mol 24 unq 0 iso 0 dist 8.86116 8.60554 8.52463 8.09311 11.6226 15.4445 9.05357 13.1949 11.8971 9.95274 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.86116 8.60554 8.52463 9.05357 13.1949 11.8971 8.09311 11.6226 15.4445 9.95274 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 8.44664 10.971 8.09311 11.6226 3.84336 9.05357 13.1949 7.01276 9.95274 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 8.86116 8.44664 10.971 9.05357 13.1949 7.01276 8.09311 11.6226 3.84336 9.95274 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 9.44691 13.4893 8.09311 11.6226 13.0295 9.05357 13.1949 4.02219 9.95274 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 8.86116 9.44691 13.4893 9.05357 13.1949 4.02219 8.09311 11.6226 13.0295 9.95274 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.38394 8.60554 12.3994 8.09311 6.17155 15.4445 9.05357 10.3122 11.8971 9.95274 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 8.38394 8.60554 12.3994 9.05357 10.3122 11.8971 8.09311 6.17155 15.4445 9.95274 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.38394 8.44664 5.30734 8.09311 6.17155 3.84336 9.05357 10.3122 7.01276 9.95274 numMergedOcc 0
9 mol 24 unq 4 iso 1 dist 8.38394 8.44664 5.30734 9.05357 10.3122 7.01276 8.09311 6.17155 3.84336 9.95274 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.38394 9.44691 12.505 8.09311 6.17155 13.0295 9.05357 10.3122 4.02219 9.95274 numMergedOcc 0
11 mol 24 unq 5 iso 1 dist 8.38394 9.44691 12.505 9.05357 10.3122 4.02219 8.09311 6.17155 13.0295 9.95274 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 5.68215 10.1698 13.7009 10.512 numMergedOcc 0
13 mol 24 unq 6 iso 1 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 6.6219 4.82629 4.04519 10.512 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 5.68215 10.1698 4.08755 10.512 numMergedOcc 0
15 mol 24 unq 7 iso 1 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 6.6219 4.82629 12.5545 10.512 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 7.36323 9.12854 5.59311 8.87744 6.28159 9.86385 7.27472 5.50396 10.4353 3.73215 numMergedOcc 0
17 mol 24 unq 8 iso 1 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 8.87744 6.28159 9.86385 3.73215 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 6.55597 4.69295 4.98822 6.53015 numMergedOcc 0
19 mol 25 unq 0 iso 1 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 7.52933 5.03027 11.0227 6.53015 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 9.71956 12.2542 10.3547 11.8984 numMergedOcc 0
21 mol 25 unq 1 iso 1 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 7.52933 5.03027 11.0227 11.8984 numMergedOcc 0
22 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 7.07751 8.79309 7.91914 8.64476 numMergedOcc 0
23 mol 25 unq 2 iso 1 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 7.52933 5.03027 11.0227 8.64476 numMergedOcc 0
24 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 8.23761 8.17061 11.7069 4.64241 numMergedOcc 0
25 mol 25 unq 3 iso 1 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 7.52933 5.03027 11.0227 4.64241 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 9.49421 13.6145 9.62058 16.0628 numMergedOcc 0
27 mol 25 unq 4 iso 1 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 7.52933 5.03027 11.0227 16.0628 numMergedOcc 0
28 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 9.71956 12.2542 10.3547 9.19736 numMergedOcc 0
29 mol 25 unq 1 iso 1 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 6.55597 4.69295 4.98822 9.19736 numMergedOcc 0
30 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 7.07751 8.79309 7.91914 5.78812 numMergedOcc 0
31 mol 25 unq 2 iso 1 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 6.55597 4.69295 4.98822 5.78812 numMergedOcc 0
32 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 8.23761 8.17061 11.7069 7.36721 numMergedOcc 0
33 mol 25 unq 3 iso 1 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 6.55597 4.69295 4.98822 7.36721 numMergedOcc 0
34 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 9.49421 13.6145 9.62058 12.1732 numMergedOcc 0
35 mol 25 unq 4 iso 1 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 6.55597 4.69295 4.98822 12.1732 numMergedOcc 0
36 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 7.07751 8.79309 7.91914 3.56099 numMergedOcc 0
37 mol 25 unq 2 iso 1 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 9.71956 12.2542 10.3547 3.56099 numMergedOcc 0
38 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 8.23761 8.17061 11.7069 8.42944 numMergedOcc 0
39 mol 25 unq 3 iso 1 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 9.71956 12.2542 10.3547 8.42944 numMergedOcc 0
40 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 9.49421 13.6145 9.62058 8.99147 numMergedOcc 0
41 mol 25 unq 4 iso 1 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 9.71956 12.2542 10.3547 8.99147 numMergedOcc 0
42 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 8.23761 8.17061 11.7069 5.99526 numMergedOcc 0
43 mol 25 unq 3 iso 1 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 7.07751 8.79309 7.91914 5.99526 numMergedOcc 0
44 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 9.49421 13.6145 9.62058 9.54872 numMergedOcc 0
45 mol 25 unq 4 iso 1 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 7.07751 8.79309 7.91914 9.54872 numMergedOcc 0
46 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 9.49421 13.6145 9.62058 14.6175 numMergedOcc 0
47 mol 25 unq 4 iso 1 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 8.23761 8.17061 11.7069 14.6175 numMergedOcc 0
48 mol 25 unq 5 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 6.55597 4.69295 13.4321 6.53015 numMergedOcc 0
49 mol 25 unq 5 iso 1 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 7.52933 5.03027 15.1255 6.53015 numMergedOcc 0
50 mol 25 unq 6 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 9.71956 12.2542 8.84447 11.8984 numMergedOcc 0
51 mol 25 unq 6 iso 1 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 7.52933 5.03027 15.1255 11.8984 numMergedOcc 0
52 mol 25 unq 7 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 7.07751 8.79309 9.66912 8.64476 numMergedOcc 0
53 mol 25 unq 7 iso 1 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 7.52933 5.03027 15.1255 8.64476 numMergedOcc 0
54 mol 25 unq 8 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 8.23761 8.17061 13.1117 4.64241 numMergedOcc 0
55 mol 25 unq 8 iso 1 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 7.52933 5.03027 15.1255 4.64241 numMergedOcc 0
56 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 9.49421 13.6145 5.38592 16.0628 numMergedOcc 0
57 mol 25 unq 9 iso 1 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 7.52933 5.03027 15.1255 16.0628 numMergedOcc 0
58 mol 25 unq 6 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 9.71956 12.2542 8.84447 9.19736 numMergedOcc 0
59 mol 25 unq 6 iso 1 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 6.55597 4.69295 13.4321 9.19736 numMergedOcc 0
60 mol 25 unq 7 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 7.07751 8.79309 9.66912 5.78812 numMergedOcc 0
61 mol 25 unq 7 iso 1 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 6.55597 4.69295 13.4321 5.78812 numMergedOcc 0
62 mol 25 unq 8 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 8.23761 8.17061 13.1117 7.36721 numMergedOcc 0
63 mol 25 unq 8 iso 1 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 6.55597 4.69295 13.4321 7.36721 numMergedOcc 0
64 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 9.49421 13.6145 5.38592 12.1732 numMergedOcc 0
65 mol 25 unq 9 iso 1 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 6.55597 4.69295 13.4321 12.1732 numMergedOcc 0
66 mol 25 unq 7 iso 0 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 7.07751 8.79309 9.66912 3.56099 numMergedOcc 0
67 mol 25 unq 7 iso 1 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 9.71956 12.2542 8.84447 3.56099 numMergedOcc 0
68 mol 25 unq 8 iso 0 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 8.23761 8.17061 13.1117 8.42944 numMergedOcc 0
69 mol 25 unq 8 iso 1 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 9.71956 12.2542 8.84447 8.42944 numMergedOcc 0
70 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 9.49421 13.6145 5.38592 8.99147 numMergedOcc 0
71 mol 25 unq 9 iso 1 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 9.71956 12.2542 8.84447 8.99147 numMergedOcc 0
72 mol 25 unq 8 iso 0 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 8.23761 8.17061 13.1117 5.99526 numMergedOcc 0
73 mol 25 unq 8 iso 1 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 7.07751 8.79309 9.66912 5.99526 numMergedOcc 0
74 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 9.49421 13.6145 5.38592 9.54872 numMergedOcc 0
75 mol 25 unq 9 iso 1 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 7.07751 8.79309 9.66912 9.54872 numMergedOcc 0
76 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 9.49421 13.6145 5.38592 14.6175 numMergedOcc 0
77 mol 25 unq 9 iso 1 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 8.23761 8.17061 13.1117 14.6175 numMergedOcc 0
78 mol 25 unq 10 iso 0 dist 7.57578 6.16347 9.34396 4.79873 10.2864 5.46578 9.48085 5.18617 9.62058 12.7147 numMergedOcc 0
79 mol 25 unq 10 iso 1 dist 7.57578 6.16347 9.34396 9.48085 5.18617 9.62058 4.79873 10.2864 5.46578 12.7147 numMergedOcc 0
80 mol 25 unq 11 iso 0 dist 7.57578 7.92503 6.11127 4.79873 10.2864 11.0175 9.48085 5.18617 10.2758 12.7147 numMergedOcc 0
81 mol 25 unq 11 iso 1 dist 7.57578 7.92503 6.11127 9.48085 5.18617 10.2758 4.79873 10.2864 11.0175 12.7147 numMergedOcc 0
82 mol 25 unq 12 iso 0 dist 7.17969 6.16347 10.8498 4.79873 11.4148 5.46578 9.48085 5.68041 9.62058 12.7147 numMergedOcc 0
83 mol 25 unq 12 iso 1 dist 7.17969 6.16347 10.8498 9.48085 5.68041 9.62058 4.79873 11.4148 5.46578 12.7147 numMergedOcc 0
84 mol 25 unq 13 iso 0 dist 7.17969 7.92503 5.30154 4.79873 11.4148 11.0175 9.48085 5.68041 10.2758 12.7147 numMergedOcc 0
85 mol 25 unq 13 iso 1 dist 7.17969 7.92503 5.30154 9.48085 5.68041 10.2758 4.79873 11.4148 11.0175 12.7147 numMergedOcc 0
86 mol 58 unq 0 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 8.01308 5.86526 5.76523 6.20884 numMergedOcc 0
87 mol 58 unq 0 iso 1 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 8.96727 9.87158 5.66912 6.20884 numMergedOcc 0
88 mol 95 unq 0 iso 0 dist 9.03572 9.49454 13.3662 8.27883 4.99174 15.7954 5.75428 4.46005 10.4348 6.27231 numMergedOcc 0
89 mol 95 unq 0 iso 1 dist 9.03572 9.49454 13.3662 5.75428 4.46005 10.4348 8.27883 4.99174 15.7954 6.27231 numMergedOcc 0
90 mol 95 unq 1 iso 0 dist 9.03572 9.49454 13.3662 8.27883 4.99174 15.7954 8.57395 8.28518 5.88327 11.734 numMergedOcc 0
91 mol 95 unq 1 iso 1 dist 9.03572 9.49454 13.3662 8.57395 8.28518 5.88327 8.27883 4.99174 15.7954 11.734 numMergedOcc 0
92 mol 95 unq 2 iso 0 dist 9.03572 9.49454 13.3662 8.27883 4.99174 15.7954 9.85409 15.917 3.96826 17.4304 numMergedOcc 0
93 mol 95 unq 2 iso 1 dist 9.03572 9.49454 13.3662 9.85409 15.917 3.96826 8.27883 4.99174 15.7954 17.4304 numMergedOcc 0
94 mol 95 unq 1 iso 0 dist 9.03572 9.49454 13.3662 5.75428 4.46005 10.4348 8.57395 8.28518 5.88327 6.95874 numMergedOcc 0
95 mol 95 unq 1 iso 1 dist 9.03572 9.49454 13.3662 8.57395 8.28518 5.88327 5.75428 4.46005 10.4348 6.95874 numMergedOcc 0
96 mol 95 unq 2 iso 0 dist 9.03572 9.49454 13.3662 5.75428 4.46005 10.4348 9.85409 15.917 3.96826 12.3063 numMergedOcc 0
97 mol 95 unq 2 iso 1 dist 9.03572 9.49454 13.3662 9.85409 15.917 3.96826 5.75428 4.46005 10.4348 12.3063 numMergedOcc 0
98 mol 95 unq 2 iso 0 dist 9.03572 9.49454 13.3662 8.57395 8.28518 5.88327 9.85409 15.917 3.96826 9.43547 numMergedOcc 0
99 mol 95 unq 2 iso 1 dist 9.03572 9.49454 13.3662 9.85409 15.917 3.96826 8.57395 8.28518 5.88327 9.43547 numMergedOcc 0
100 mol 95 unq 3 iso 0 dist 8.83255 9.49454 12.0666 8.27883 8.67311 15.7954 5.75428 3.94293 10.4348 6.27231 numMergedOcc 0
101 mol 95 unq 3 iso 1 dist 8.83255 9.49454 12.0666 5.75428 3.94293 10.4348 8.27883 8.67311 15.7954 6.27231 numMergedOcc 0
102 mol 95 unq 4 iso 0 dist 8.83255 9.49454 12.0666 8.27883 8.67311 15.7954 8.57395 9.22202 5.88327 11.734 numMergedOcc 0
103 mol 95 unq 4 iso 1 dist 8.83255 9.49454 12.0666 8.57395 9.22202 5.88327 8.27883 8.67311 15.7954 11.734 numMergedOcc 0
104 mol 95 unq 5 iso 0 dist 8.83255 9.49454 12.0666 8.27883 8.67311 15.7954 9.85409 13.7484 3.96826 17.4304 numMergedOcc 0
105 mol 95 unq 5 iso 1 dist 8.83255 9.49454 12.0666 9.85409 13.7484 3.96826 8.27883 8.67311 15.7954 17.4304 numMergedOcc 0
106 mol 95 unq 4 iso 0 dist 8.83255 9.49454 12.0666 5.75428 3.94293 10.4348 8.57395 9.22202 5.88327 6.95874 numMergedOcc 0
107 mol 95 unq 4 iso 1 dist 8.83255 9.49454 12.0666 8.57395 9.22202 5.88327 5.75428 3.94293 10.4348 6.95874 numMergedOcc 0
108 mol 95 unq 5 iso 0 dist 8.83255 9.49454 12.0666 5.75428 3.94293 10.4348 9.85409 13.7484 3.96826 12.3063 numMergedOcc 0
109 mol 95 unq 5 iso 1 dist 8.83255 9.49454 12.0666 9.85409 13.7484 3.96826 5.75428 3.94293 10.4348 12.3063 numMergedOcc 0
110 mol 95 unq 5 iso 0 dist 8.83255 9.49454 12.0666 8.57395 9.22202 5.88327 9.85409 13.7484 3.96826 9.43547 numMergedOcc 0
111 mol 95 unq 5 iso 1 dist 8.83255 9.49454 12.0666 9.85409 13.7484 3.96826 8.57395 9.22202 5.88327 9.43547 numMergedOcc 0
112 mol 95 unq 6 iso 0 dist 8.03644 9.49454 11.4333 8.27883 15.6249 15.7954 5.75428 12.4896 10.4348 6.27231 numMergedOcc 0
113 mol 95 unq 6 iso 1 dist 8.03644 9.49454 11.4333 5.75428 12.4896 10.4348 8.27883 15.6249 15.7954 6.27231 numMergedOcc 0
114 mol 95 unq 7 iso 0 dist 8.03644 9.49454 11.4333 8.27883 15.6249 15.7954 8.57395 14.2178 5.88327 11.734 numMergedOcc 0
115 mol 95 unq 7 iso 1 dist 8.03644 9.49454 11.4333 8.57395 14.2178 5.88327 8.27883 15.6249 15.7954 11.734 numMergedOcc 0
116 mol 95 unq 8 iso 0 dist 8.03644 9.49454 11.4333 8.27883 15.6249 15.7954 9.85409 8.78079 3.96826 17.4304 numMergedOcc 0
117 mol 95 unq 8 iso 1 dist 8.03644 9.49454 11.4333 9.85409 8.78079 3.96826 8.27883 15.6249 15.7954 17.4304 numMergedOcc 0
118 mol 95 unq 7 iso 0 dist 8.03644 9.49454 11.4333 5.75428 12.4896 10.4348 8.57395 14.2178 5.88327 6.95874 numMergedOcc 0
119 mol 95 unq 7 iso 1 dist 8.03644 9.49454 11.4333 8.57395 14.2178 5.88327 5.75428 12.4896 10.4348 6.95874 numMergedOcc 0
120 mol 95 unq 8 iso 0 dist 8.03644 9.49454 11.4333 5.75428 12.4896 10.4348 9.85409 8.78079 3.96826 12.3063 numMergedOcc 0
121 mol 95 unq 8 iso 1 dist 8.03644 9.49454 11.4333 9.85409 8.78079 3.96826 5.75428 12.4896 10.4348 12.3063 numMergedOcc 0
122 mol 95 unq 8 iso 0 dist 8.03644 9.49454 11.4333 8.57395 14.2178 5.88327 9.85409 8.78079 3.96826 9.43547 numMergedOcc 0
123 mol 95 unq 8 iso 1 dist 8.03644 9.49454 11.4333 9.85409 8.78079 3.96826 8.57395 14.2178 5.88327 9.43547 numMergedOcc 0
124 mol 98 unq 0 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 5.2571 3.9764 3.94967 6.70343 numMergedOcc 0
125 mol 98 unq 0 iso 1 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 7.54889 10.4782 3.92737 6.70343 numMergedOcc 0
126 mol 100 unq 0 iso 0 dist 8.87449 7.80975 7.97897 9.90751 9.72773 15.0328 9.21662 9.39125 12.48 6.25463 numMergedOcc 0
127 mol 100 unq 0 iso 1 dist 8.87449 7.80975 7.97897 9.21662 9.39125 12.48 9.90751 9.72773 15.0328 6.25463 numMergedOcc 0
128 mol 100 unq 1 iso 0 dist 6.45675 7.38135 7.11701 7.82475 5.43561 7.55779 5.35782 6.30222 8.00947 3.5565 numMergedOcc 0
129 mol 100 unq 1 iso 1 dist 6.45675 7.38135 7.11701 5.35782 6.30222 8.00947 7.82475 5.43561 7.55779 3.5565 numMergedOcc 0
130 mol 100 unq 2 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 5.35782 5.47563 8.00947 3.5565 numMergedOcc 0
131 mol 100 unq 2 iso 1 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 7.82475 5.9143 7.55779 3.5565 numMergedOcc 0
132 mol 100 unq 3 iso 0 dist 8.86688 7.38135 7.79768 7.82475 5.25234 7.55779 5.35782 5.03232 8.00947 3.5565 numMergedOcc 0
133 mol 100 unq 3 iso 1 dist 8.86688 7.38135 7.79768 5.35782 5.03232 8.00947 7.82475 5.25234 7.55779 3.5565 numMergedOcc 0
134 mol 134 unq 0 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 8.69531 7.41373 6.93712 5.83782 numMergedOcc 0
135 mol 134 unq 0 iso 1 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 9.1998 12.8086 11.5269 5.83782 numMergedOcc 0
136 mol 134 unq 1 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 8.69531 10.8635 6.93712 5.83782 numMergedOcc 0
137 mol 134 unq 1 iso 1 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 9.1998 15.0225 11.5269 5.83782 numMergedOcc 0
138 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 7.36975 13.1926 12.207 5.40637 7.39837 10.0079 10.1474 numMergedOcc 0
139 mol 143 unq 0 iso 1 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 7.36975 13.1926 12.207 10.1474 numMergedOcc 0
140 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 7.36975 13.1926 14.7271 5.40637 7.39837 9.05366 10.1474 numMergedOcc 0
141 mol 143 unq 1 iso 1 dist 5.99315 8.91301 5.20762 5.40637 7.39837 9.05366 7.36975 13.1926 14.7271 10.1474 numMergedOcc 0
142 mol 167 unq 0 iso 0 dist 9.87651 9.67741 13.0123 7.20495 7.87971 5.43662 9.2289 12.0033 8.91275 9.25262 numMergedOcc 0
143 mol 167 unq 0 iso 1 dist 9.87651 9.67741 13.0123 9.2289 12.0033 8.91275 7.20495 7.87971 5.43662 9.25262 numMergedOcc 0
144 mol 167 unq 1 iso 0 dist 9.87651 9.67741 13.0123 7.20495 7.87971 5.43662 7.02548 11.6011 5.95858 6.81449 numMergedOcc 0
145 mol 167 unq 1 iso 1 dist 9.87651 9.67741 13.0123 7.02548 11.6011 5.95858 7.20495 7.87971 5.43662 6.81449 numMergedOcc 0
146 mol 167 unq 1 iso 0 dist 9.87651 9.67741 13.0123 9.2289 12.0033 8.91275 7.02548 11.6011 5.95858 3.55199 numMergedOcc 0
147 mol 167 unq 1 iso 1 dist 9.87651 9.67741 13.0123 7.02548 11.6011 5.95858 9.2289 12.0033 8.91275 3.55199 numMergedOcc 0
148 mol 181 unq 0 iso 0 dist 7.81386 5.94469 7.77758 6.64173 6.8757 4.98436 9.01624 5.71898 11.9796 11.196 numMergedOcc 0
149 mol 181 unq 0 iso 1 dist 7.81386 5.94469 7.77758 9.01624 5.71898 11.9796 6.64173 6.8757 4.98436 11.196 numMergedOcc 0
150 mol 181 unq 1 iso 0 dist 7.81386 5.94469 7.77758 6.64173 6.8757 4.98436 9.55105 5.83796 12.3589 10.1041 numMergedOcc 0
151 mol 181 unq 1 iso 1 dist 7.81386 5.94469 7.77758 9.55105 5.83796 12.3589 6.64173 6.8757 4.98436 10.1041 numMergedOcc 0
152 mol 181 unq 1 iso 0 dist 7.81386 5.94469 7.77758 9.01624 5.71898 11.9796 9.55105 5.83796 12.3589 3.55187 numMergedOcc 0
153 mol 181 unq 1 iso 1 dist 7.81386 5.94469 7.77758 9.55105 5.83796 12.3589 9.01624 5.71898 11.9796 3.55187 numMergedOcc 0
154 mol 181 unq 2 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 9.01624 5.93724 11.9796 11.196 numMergedOcc 0
155 mol 181 unq 2 iso 1 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 6.64173 10.6474 4.98436 11.196 numMergedOcc 0
156 mol 181 unq 3 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 9.55105 5.12833 12.3589 10.1041 numMergedOcc 0
157 mol 181 unq 3 iso 1 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 6.64173 10.6474 4.98436 10.1041 numMergedOcc 0
158 mol 181 unq 3 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 9.55105 5.12833 12.3589 3.55187 numMergedOcc 0
159 mol 181 unq 3 iso 1 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 9.01624 5.93724 11.9796 3.55187 numMergedOcc 0
160 mol 222 unq 0 iso 0 dist 6.00706 9.07471 7.75466 6.74196 8.84507 4.67663 8.36842 6.02502 6.37382 8.10209 numMergedOcc 0
161 mol 222 unq 0 iso 1 dist 6.00706 9.07471 7.75466 8.36842 6.02502 6.37382 6.74196 8.84507 4.67663 8.10209 numMergedOcc 0
162 mol 222 unq 1 iso 0 dist 6.00706 9.07471 7.75466 6.74196 8.84507 4.67663 9.75472 5.18677 6.31322 9.49218 numMergedOcc 0
163 mol 222 unq 1 iso 1 dist 6.00706 9.07471 7.75466 9.75472 5.18677 6.31322 6.74196 8.84507 4.67663 9.49218 numMergedOcc 0
164 mol 222 unq 1 iso 0 dist 6.00706 9.07471 7.75466 8.36842 6.02502 6.37382 9.75472 5.18677 6.31322 3.53707 numMergedOcc 0
165 mol 222 unq 1 iso 1 dist 6.00706 9.07471 7.75466 9.75472 5.18677 6.31322 8.36842 6.02502 6.37382 3.53707 numMergedOcc 0
166 mol 222 unq 2 iso 0 dist 7.54212 9.07471 13.3447 6.74196 12.8595 4.67663 8.36842 12.5866 6.37382 8.10209 numMergedOcc 0
167 mol 222 unq 2 iso 1 dist 7.54212 9.07471 13.3447 8.36842 12.5866 6.37382 6.74196 12.8595 4.67663 8.10209 numMergedOcc 0
168 mol 222 unq 3 iso 0 dist 7.54212 9.07471 13.3447 6.74196 12.8595 4.67663 9.75472 11.9567 6.31322 9.49218 numMergedOcc 0
169 mol 222 unq 3 iso 1 dist 7.54212 9.07471 13.3447 9.75472 11.9567 6.31322 6.74196 12.8595 4.67663 9.49218 numMergedOcc 0
170 mol 222 unq 3 iso 0 dist 7.54212 9.07471 13.3447 8.36842 12.5866 6.37382 9.75472 11.9567 6.31322 3.53707 numMergedOcc 0
171 mol 222 unq 3 iso 1 dist 7.54212 9.07471 13.3447 9.75472 11.9567 6.31322 8.36842 12.5866 6.37382 3.53707 numMergedOcc 0
172 mol 223 unq 0 iso 0 dist 8.77153 7.48463 11.8654 6.42257 4.04036 10.5752 9.33543 13.1538 3.86668 12.841 numMergedOcc 0
173 mol 223 unq 0 iso 1 dist 8.77153 7.48463 11.8654 9.33543 13.1538 3.86668 6.42257 4.04036 10.5752 12.841 numMergedOcc 0
174 mol 223 unq 1 iso 0 dist 8.6166 7.48463 6.05524 6.42257 9.47076 10.5752 9.33543 5.39728 3.86668 12.841 numMergedOcc 0
175 mol 223 unq 1 iso 1 dist 8.6166 7.48463 6.05524 9.33543 5.39728 3.86668 6.42257 9.47076 10.5752 12.841 numMergedOcc 0
176 mol 243 unq 0 iso 0 dist 8.23192 8.76935 6.60697 7.10671 5.74165 3.85188 8.67156 9.89868 4.21383 6.67199 numMergedOcc 0
177 mol 243 unq 0 iso 1 dist 8.23192 8.76935 6.60697 8.67156 9.89868 4.21383 7.10671 5.74165 3.85188 6.67199 numMergedOcc 0
178 mol 243 unq 1 iso 0 dist 8.23192 8.47652 4.26017 7.10671 5.74165 6.25256 8.67156 9.89868 6.94795 6.67199 numMergedOcc 0
179 mol 243 unq 1 iso 1 dist 8.23192 8.47652 4.26017 8.67156 9.89868 6.94795 7.10671 5.74165 6.25256 6.67199 numMergedOcc 0
180 mol 259 unq 0 iso 0 dist 7.46176 7.08526 8.81835 5.85442 10.067 4.47425 6.95511 11.6988 4.10176 3.51848 numMergedOcc 0
181 mol 259 unq 0 iso 1 dist 7.46176 7.08526 8.81835 6.95511 11.6988 4.10176 5.85442 10.067 4.47425 3.51848 numMergedOcc 0
182 mol 292 unq 0 iso 0 dist 8.2734 7.07965 10.8848 7.20674 7.8414 13.8094 8.38121 14.179 13.8468 9.14614 numMergedOcc 0
183 mol 292 unq 0 iso 1 dist 8.2734 7.07965 10.8848 8.38121 14.179 13.8468 7.20674 7.8414 13.8094 9.14614 numMergedOcc 0
