0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 16.2118 7.12508 6.1206 19.4516 10.5461 13.2247 9.87885 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 16.4746 12.8323 9.87885 15.637 12.2333 13.2247 6.1206 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.30877 5.01101 6.42835 12.4209 11.6856 10.2656 7.65889 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 9.8871 4.65873 6.57331 5.48395 6.31718 6.92781 8.43054 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 6.36377 5.48395 6.31718 9.8871 4.65873 8.43054 4.78943 5.05803 6.92781 6.57331 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 13.4236 5.68041 9.48085 16.046 12.8117 10.9391 9.49421 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 12.266 5.41726 6.6263 11.8286 6.20293 8.13395 6.75943 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.266 5.41726 6.75943 11.0096 8.80331 8.13395 6.6263 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 12.0576 15.6249 8.27883 8.63033 11.3446 6.59884 7.7152 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 10.4417 6.48948 9.51923 5.92242 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 11.3628 6.10456 8.40073 5.2571 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.9747 4.75138 5.08437 8.3505 3.9764 5.10496 13.9599 10.1136 10.2427 8.7497 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 4.75138 5.08437 9.51923 5.10496 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 11.3628 6.10456 9.42358 5.2571 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 13.9599 10.1136 13.9786 8.7497 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 22.4143 17.4071 13.659 9.64383 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 13.9599 10.1136 5.02887 7.78931 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 4.75138 5.08437 8.40073 5.10496 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 10.4417 6.48948 9.42358 5.92242 numMergedOcc 0
19 mol 98 unq 10 iso 0 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 13.9599 10.1136 5.02887 8.7497 numMergedOcc 0
20 mol 98 unq 11 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 9.63267 6.48948 9.51923 5.92242 numMergedOcc 0
21 mol 98 unq 12 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 9.82583 6.10456 8.40073 5.2571 numMergedOcc 0
22 mol 98 unq 13 iso 0 dist 4.50572 6.88489 5.08437 8.32269 3.9764 5.10496 13.2337 10.1136 10.2427 8.7497 numMergedOcc 0
23 mol 98 unq 14 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 6.88489 5.08437 9.51923 5.10496 numMergedOcc 0
24 mol 98 unq 15 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 9.82583 6.10456 9.42358 5.2571 numMergedOcc 0
25 mol 98 unq 16 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 13.2337 10.1136 13.9786 8.7497 numMergedOcc 0
26 mol 98 unq 17 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 21.8813 17.4071 13.659 9.64383 numMergedOcc 0
27 mol 98 unq 18 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 13.2337 10.1136 5.02887 7.78931 numMergedOcc 0
28 mol 98 unq 19 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 6.88489 5.08437 8.40073 5.10496 numMergedOcc 0
29 mol 98 unq 20 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 9.63267 6.48948 9.42358 5.92242 numMergedOcc 0
30 mol 98 unq 21 iso 0 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 13.2337 10.1136 5.02887 8.7497 numMergedOcc 0
31 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 17.3399 13.0886 7.86666 26.6176 21.5605 17.2949 9.77497 numMergedOcc 0
32 mol 109 unq 1 iso 0 dist 8.3164 11.5656 8.69985 9.94704 5.00433 8.52024 14.8479 13.1098 7.15843 9.89083 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 16.2777 15.3161 9.42082 11.4509 13.8473 7.69052 6.39384 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 4.98864 6.59772 6.11741 9.47795 6.07067 6.39384 10.9437 7.88312 7.69052 9.42082 numMergedOcc 0
35 mol 115 unq 2 iso 0 dist 4.98864 10.9437 7.88312 9.47795 6.07067 9.42082 6.59772 6.11741 7.69052 6.39384 numMergedOcc 0
36 mol 115 unq 3 iso 0 dist 7.95871 4.86477 6.11741 9.29473 6.07067 6.39384 12.0354 7.88312 7.69052 9.42082 numMergedOcc 0
37 mol 115 unq 4 iso 0 dist 7.95871 12.0354 7.88312 9.29473 6.07067 9.42082 4.86477 6.11741 7.69052 6.39384 numMergedOcc 0
38 mol 117 unq 0 iso 0 dist 6.90827 5.27151 7.83136 6.78655 3.55765 8.19331 4.45276 7.0603 7.21564 8.85711 numMergedOcc 0
39 mol 117 unq 1 iso 0 dist 6.90827 4.45276 7.0603 6.78655 3.55765 8.85711 5.27151 7.83136 7.21564 8.19331 numMergedOcc 0
40 mol 117 unq 2 iso 0 dist 8.90977 10.6616 7.83136 9.42037 3.55765 8.19331 4.98254 7.0603 7.21564 8.85711 numMergedOcc 0
41 mol 117 unq 3 iso 0 dist 8.90977 4.98254 7.0603 9.42037 3.55765 8.85711 10.6616 7.83136 7.21564 8.19331 numMergedOcc 0
42 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 10.6383 12.9631 6.89918 6.34266 11.5751 4.35917 7.89457 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.3555 7.41373 9.33094 6.20443 9.86662 6.81259 8.69531 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 14.5777 12.8086 9.1998 17.6233 15.281 11.6064 6.42772 numMergedOcc 0
45 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 14.5777 12.8086 9.1998 9.96129 14.0375 7.09823 8.70621 numMergedOcc 0
46 mol 134 unq 3 iso 0 dist 9.92932 6.20443 9.86662 12.3555 7.41373 8.69531 10.5108 8.94367 6.81259 9.33094 numMergedOcc 0
47 mol 134 unq 4 iso 0 dist 9.60411 10.5108 6.37586 12.3555 10.8635 9.33094 6.20443 9.71307 6.81259 8.69531 numMergedOcc 0
48 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 14.5777 15.0225 9.1998 17.6233 15.6507 11.6064 6.42772 numMergedOcc 0
49 mol 134 unq 6 iso 0 dist 9.60411 6.20443 9.71307 14.5777 15.0225 9.1998 9.96129 15.9508 7.09823 8.70621 numMergedOcc 0
50 mol 134 unq 7 iso 0 dist 9.60411 6.20443 9.71307 12.3555 10.8635 8.69531 10.5108 6.37586 6.81259 9.33094 numMergedOcc 0
51 mol 134 unq 8 iso 0 dist 9.55556 11.9294 8.94367 8.78303 7.41373 9.33094 6.36794 9.86662 6.81259 8.69531 numMergedOcc 0
52 mol 134 unq 9 iso 0 dist 9.55556 6.36794 9.86662 10.6236 12.8086 9.1998 15.5462 15.281 11.6064 6.42772 numMergedOcc 0
53 mol 134 unq 10 iso 0 dist 9.55556 6.36794 9.86662 10.6236 12.8086 9.1998 5.73965 14.0375 7.09823 8.70621 numMergedOcc 0
54 mol 134 unq 11 iso 0 dist 9.55556 6.36794 9.86662 8.78303 7.41373 8.69531 11.9294 8.94367 6.81259 9.33094 numMergedOcc 0
55 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.0918 5.39112 6.59889 11.1874 6.70283 7.65448 6.70693 numMergedOcc 0
56 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.0918 5.39112 6.70693 10.4039 8.56324 7.65448 6.59889 numMergedOcc 0
57 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 11.298 12.0033 9.2289 9.57777 12.4733 4.70068 7.68266 numMergedOcc 0
58 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 11.298 12.0033 9.2289 15.0444 17.5366 10.3445 7.6616 numMergedOcc 0
59 mol 167 unq 2 iso 0 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 9.57777 12.4733 4.70068 6.84752 numMergedOcc 0
60 mol 167 unq 3 iso 0 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 15.0444 17.5366 10.3445 7.86563 numMergedOcc 0
61 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 11.6646 6.35474 5.64942 4.96445 7.00794 5.76246 6.97962 numMergedOcc 0
62 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 11.4183 5.25965 7.43054 4.96445 7.00794 5.76246 6.79229 numMergedOcc 0
63 mol 192 unq 2 iso 0 dist 9.90531 4.96445 7.00794 11.6646 6.35474 6.97962 8.43102 5.59424 5.76246 5.64942 numMergedOcc 0
64 mol 192 unq 3 iso 0 dist 9.90531 4.96445 7.00794 11.4183 5.25965 6.79229 8.43102 5.59424 5.76246 7.43054 numMergedOcc 0
65 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 6.32334 7.05804 8.79428 6.31508 10.103 6.77699 6.99769 numMergedOcc 0
66 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 6.32334 7.05804 8.79428 6.51315 5.78342 8.49799 6.8692 numMergedOcc 0
67 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 6.32334 7.05804 6.8692 6.31508 10.103 11.328 6.99769 numMergedOcc 0
68 mol 224 unq 3 iso 0 dist 8.39002 6.51315 5.78342 6.32334 7.05804 6.8692 5.72088 6.57273 8.49799 8.79428 numMergedOcc 0
69 mol 224 unq 4 iso 0 dist 8.46129 6.31508 6.65832 6.32334 5.76843 6.99769 5.72088 6.60589 6.77699 8.79428 numMergedOcc 0
70 mol 224 unq 5 iso 0 dist 8.46129 6.31508 6.65832 6.32334 5.76843 6.99769 6.51315 9.16166 11.328 6.8692 numMergedOcc 0
71 mol 224 unq 6 iso 0 dist 8.46129 5.72088 6.60589 6.32334 5.76843 8.79428 6.31508 6.65832 6.77699 6.99769 numMergedOcc 0
72 mol 224 unq 7 iso 0 dist 8.46129 5.72088 6.60589 6.32334 5.76843 8.79428 6.51315 9.16166 8.49799 6.8692 numMergedOcc 0
73 mol 224 unq 8 iso 0 dist 8.46129 6.51315 9.16166 6.32334 5.76843 6.8692 6.31508 6.65832 11.328 6.99769 numMergedOcc 0
74 mol 224 unq 9 iso 0 dist 8.46129 6.51315 9.16166 6.32334 5.76843 6.8692 5.72088 6.60589 8.49799 8.79428 numMergedOcc 0
75 mol 224 unq 10 iso 0 dist 9.2053 6.51315 5.81334 6.32334 4.54188 6.8692 6.31508 10.9745 11.328 6.99769 numMergedOcc 0
76 mol 224 unq 11 iso 0 dist 9.2053 6.51315 5.81334 6.32334 4.54188 6.8692 5.72088 10.5128 8.49799 8.79428 numMergedOcc 0
77 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 13.0848 5.83175 5.23634 14.0536 10.8157 5.22356 6.91318 numMergedOcc 0
78 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 7.13727 7.06793 9.72188 6.45589 14.6111 15.7907 9.12776 numMergedOcc 0
79 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 8.56975 7.06793 9.72188 9.23693 14.6111 15.7907 9.12776 numMergedOcc 0
80 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 14.8114 14.6111 15.7907 9.12776 numMergedOcc 0
81 mol 238 unq 3 iso 0 dist 9.66555 12.2428 6.22714 12.6412 12.7938 9.08509 6.34091 11.0896 10.1813 6.99888 numMergedOcc 0
82 mol 238 unq 4 iso 0 dist 8.67205 8.66185 6.22714 9.72795 12.7938 9.08509 4.33645 11.0896 10.1813 6.99888 numMergedOcc 0
83 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 18.8989 16.5158 11.347 9.34438 numMergedOcc 0
84 mol 239 unq 1 iso 0 dist 6.44212 7.97883 6.16342 14.1679 10.6736 6.73665 12.6597 13.7154 7.97994 9.35949 numMergedOcc 0
85 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 16.793 12.2293 9.46361 15.2324 10.3935 6.96053 6.95511 numMergedOcc 0
86 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 13.9131 8.8603 9.07743 9.79538 7.88519 4.69778 7.66153 numMergedOcc 0
87 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 13.9131 8.8603 7.66153 6.64729 8.13497 4.69778 9.07743 numMergedOcc 0
88 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 21.0823 11.8896 7.66153 16.7125 10.3935 4.69778 9.07743 numMergedOcc 0
89 mol 259 unq 4 iso 0 dist 9.12507 5.59901 5.30224 4.95855 7.09907 6.9899 5.41945 11.858 9.98105 5.85442 numMergedOcc 0
90 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 12.7549 14.179 8.38121 9.83514 17.2013 11.8061 9.90967 numMergedOcc 0
