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1 mol 0 unq 1 iso 0 dist 9.42137 11.6896 9.6994 12.7756 8.81979 5.63197 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.42137 14.5258 7.15528 7.65884 9.23213 10.4498 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.42137 14.5258 7.15528 12.7756 8.81979 5.52201 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 4.81384 8.33604 8.27181 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 8.55371 5.47769 6.2983 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 9.76968 12.1754 7.63133 8.55371 5.47769 5.94084 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 11.7823 6.73162 7.23546 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 6.66387 9.16962 11.887 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 6.35048 9.83618 10.4442 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 5.97635 10.7219 9.5589 8.98505 5.02241 6.91765 numMergedOcc 0
12 mol 54 unq 1 iso 0 dist 5.97635 6.76462 6.83299 8.98505 5.02241 5.06052 numMergedOcc 0
13 mol 54 unq 2 iso 0 dist 5.97635 13.2619 8.10861 8.98505 5.02241 10.1332 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 6.05206 9.64665 4.67832 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 6.65344 5.29688 6.85766 10.4897 6.71911 7.29033 numMergedOcc 0
17 mol 59 unq 1 iso 0 dist 6.65344 13.1729 7.71095 10.4897 6.71911 5.33688 numMergedOcc 0
18 mol 64 unq 0 iso 0 dist 8.99491 4.96726 9.67592 6.84612 8.68586 5.3948 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.2377 4.99283 5.93252 12.6436 5.64598 9.77992 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 4.31731 4.65521 7.41074 numMergedOcc 0
21 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 8.91765 5.15851 10.0425 numMergedOcc 0
22 mol 75 unq 1 iso 0 dist 6.95595 10.309 8.56639 8.91765 5.15851 11.8774 numMergedOcc 0
23 mol 75 unq 2 iso 0 dist 6.95595 5.80162 8.59017 8.91765 5.15851 10.0372 numMergedOcc 0
24 mol 76 unq 0 iso 0 dist 6.4551 8.78063 6.97941 13.2281 9.49449 6.06861 numMergedOcc 0
25 mol 86 unq 0 iso 0 dist 8.88225 8.73453 9.5497 14.1743 7.79359 9.68893 numMergedOcc 0
26 mol 86 unq 1 iso 0 dist 9.49308 10.7693 9.5497 12.091 7.79359 9.68893 numMergedOcc 0
27 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 7.10144 8.66514 8.4283 numMergedOcc 0
28 mol 88 unq 1 iso 0 dist 9.72689 13.7794 9.36773 9.32959 9.25235 5.37521 numMergedOcc 0
29 mol 88 unq 2 iso 0 dist 7.74197 4.0486 9.36773 10.0278 8.66514 8.4283 numMergedOcc 0
30 mol 88 unq 3 iso 0 dist 7.74197 4.0486 9.36773 8.37153 9.25235 5.37521 numMergedOcc 0
31 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 5.49138 5.87358 9.46098 numMergedOcc 0
32 mol 114 unq 0 iso 0 dist 9.44713 4.1386 7.35754 9.39191 8.68821 5.33327 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 9.81097 8.66155 11.3902 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 9.81097 8.66155 6.09023 numMergedOcc 0
35 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 9.81097 8.66155 4.61908 numMergedOcc 0
36 mol 115 unq 3 iso 0 dist 4.98864 6.59772 6.11741 5.46352 6.99777 10.8292 numMergedOcc 0
37 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 10.1017 9.14376 6.12943 numMergedOcc 0
38 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 5.46352 6.99777 11.7126 numMergedOcc 0
39 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 10.1017 9.14376 4.62962 numMergedOcc 0
40 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 10.3995 6.99777 10.8292 numMergedOcc 0
41 mol 115 unq 8 iso 0 dist 7.95871 4.86477 6.11741 9.81323 9.14376 6.12943 numMergedOcc 0
42 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 10.3995 6.99777 11.7126 numMergedOcc 0
43 mol 115 unq 10 iso 0 dist 7.95871 12.0354 7.88312 9.81323 9.14376 4.62962 numMergedOcc 0
44 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 4.56139 7.75534 7.01257 numMergedOcc 0
45 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 10.2034 9.81878 4.77464 numMergedOcc 0
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47 mol 130 unq 1 iso 0 dist 5.49877 3.96103 8.70949 4.72188 8.74308 6.76754 numMergedOcc 0
48 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 numMergedOcc 0
49 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 numMergedOcc 0
50 mol 133 unq 0 iso 0 dist 5.86531 6.26797 7.11802 5.80615 7.92688 4.68409 numMergedOcc 0
51 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 5.80615 7.92688 12.2037 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.27009 8.79571 5.41704 numMergedOcc 0
53 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 6.27009 8.79571 6.17103 numMergedOcc 0
54 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 6.27009 5.42582 5.41704 numMergedOcc 0
55 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 6.27009 5.42582 6.17103 numMergedOcc 0
56 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 10.2625 8.79571 5.41704 numMergedOcc 0
57 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 10.2625 8.79571 6.17103 numMergedOcc 0
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59 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 6.51591 9.13561 8.25411 numMergedOcc 0
60 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 6.51591 9.13561 7.89109 numMergedOcc 0
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62 mol 155 unq 1 iso 0 dist 6.7973 5.01118 6.23493 9.64056 9.86313 5.86939 numMergedOcc 0
63 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 11.14 7.98142 9.53462 numMergedOcc 0
64 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 10.9006 7.37327 11.1462 numMergedOcc 0
65 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 11.14 7.98142 9.60512 numMergedOcc 0
66 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 10.9006 7.37327 13.3389 numMergedOcc 0
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68 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 12.5517 9.19704 6.23291 numMergedOcc 0
69 mol 205 unq 2 iso 0 dist 5.96555 5.87892 7.80463 12.5517 9.19704 13.231 numMergedOcc 0
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71 mol 214 unq 1 iso 0 dist 9.51764 6.28065 9.65138 10.8345 6.1175 11.5712 numMergedOcc 0
72 mol 214 unq 2 iso 0 dist 9.51764 11.2159 7.14453 6.09245 6.97182 5.33565 numMergedOcc 0
73 mol 214 unq 3 iso 0 dist 9.51764 11.2159 7.14453 10.8345 6.1175 5.06792 numMergedOcc 0
74 mol 214 unq 4 iso 0 dist 9.51764 6.53326 8.85478 6.09245 6.97182 8.47007 numMergedOcc 0
75 mol 214 unq 5 iso 0 dist 9.51764 6.53326 8.85478 10.8345 6.1175 12.8334 numMergedOcc 0
76 mol 214 unq 6 iso 0 dist 5.36829 11.7583 9.65138 8.69149 6.97182 6.16485 numMergedOcc 0
77 mol 214 unq 7 iso 0 dist 5.36829 11.7583 9.65138 6.00706 6.1175 11.5712 numMergedOcc 0
78 mol 214 unq 8 iso 0 dist 5.36829 4.98764 7.14453 8.69149 6.97182 5.33565 numMergedOcc 0
79 mol 214 unq 9 iso 0 dist 5.36829 4.98764 7.14453 6.00706 6.1175 5.06792 numMergedOcc 0
80 mol 214 unq 10 iso 0 dist 5.36829 12.3481 8.85478 8.69149 6.97182 8.47007 numMergedOcc 0
81 mol 214 unq 11 iso 0 dist 5.36829 12.3481 8.85478 6.00706 6.1175 12.8334 numMergedOcc 0
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85 mol 222 unq 2 iso 0 dist 9.55777 16.4881 7.21333 5.78005 6.82208 12.2813 numMergedOcc 0
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88 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 7.90095 6.87664 5.3621 numMergedOcc 0
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90 mol 234 unq 1 iso 0 dist 7.86368 12.0816 9.45496 15.442 7.85175 11.216 numMergedOcc 0
91 mol 234 unq 2 iso 0 dist 7.86368 6.94762 6.7625 16.9465 9.5707 14.4106 numMergedOcc 0
92 mol 234 unq 3 iso 0 dist 7.86368 6.94762 6.7625 15.442 7.85175 11.4315 numMergedOcc 0
93 mol 234 unq 4 iso 0 dist 7.46434 13.0285 8.41436 4.21173 6.16063 11.3297 numMergedOcc 0
94 mol 234 unq 5 iso 0 dist 7.46434 13.9912 8.92474 4.21173 6.16063 10.2563 numMergedOcc 0
95 mol 234 unq 6 iso 0 dist 7.50424 6.88707 8.41436 13.0543 6.16063 11.3297 numMergedOcc 0
96 mol 234 unq 7 iso 0 dist 7.50424 8.96936 8.92474 13.0543 6.16063 10.2563 numMergedOcc 0
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99 mol 235 unq 2 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 numMergedOcc 0
100 mol 236 unq 0 iso 0 dist 8.90987 5.26654 8.03456 14.3961 7.17676 11.8759 numMergedOcc 0
101 mol 236 unq 1 iso 0 dist 8.90987 5.26654 8.03456 12.7435 6.68463 9.07822 numMergedOcc 0
102 mol 236 unq 2 iso 0 dist 8.90987 3.82437 6.84306 14.3961 7.17676 11.3552 numMergedOcc 0
103 mol 236 unq 3 iso 0 dist 8.90987 3.82437 6.84306 12.7435 6.68463 11.6837 numMergedOcc 0
104 mol 236 unq 4 iso 0 dist 8.90987 13.8124 9.99038 14.3961 7.17676 6.04825 numMergedOcc 0
105 mol 236 unq 5 iso 0 dist 8.90987 13.8124 9.99038 12.7435 6.68463 8.8265 numMergedOcc 0
106 mol 236 unq 6 iso 0 dist 8.90987 11.2846 9.78037 14.3961 7.17676 12.6468 numMergedOcc 0
107 mol 236 unq 7 iso 0 dist 8.90987 11.2846 9.78037 12.7435 6.68463 5.80136 numMergedOcc 0
108 mol 236 unq 8 iso 0 dist 8.90987 16.8883 8.35971 14.3961 7.17676 6.40312 numMergedOcc 0
109 mol 236 unq 9 iso 0 dist 8.90987 16.8883 8.35971 12.7435 6.68463 6.2568 numMergedOcc 0
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111 mol 238 unq 1 iso 0 dist 9.13537 10.3859 6.57393 6.16476 5.38637 6.20606 numMergedOcc 0
112 mol 238 unq 2 iso 0 dist 9.66555 12.2428 6.22714 8.92175 7.49471 5.17471 numMergedOcc 0
113 mol 238 unq 3 iso 0 dist 8.67205 8.66185 6.22714 5.94371 7.49471 5.17471 numMergedOcc 0
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115 mol 249 unq 1 iso 0 dist 6.37672 4.24014 6.18582 10.4294 8.83735 7.38675 numMergedOcc 0
116 mol 249 unq 2 iso 0 dist 8.94023 9.53929 7.57994 9.10124 8.83735 5.23473 numMergedOcc 0
117 mol 249 unq 3 iso 0 dist 8.94023 5.36989 6.18582 9.10124 8.83735 7.38675 numMergedOcc 0
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119 mol 253 unq 1 iso 0 dist 7.15815 4.93871 9.02271 8.75798 7.19465 7.92528 numMergedOcc 0
120 mol 256 unq 0 iso 0 dist 7.67598 8.99993 8.29103 9.40096 5.24676 4.22352 numMergedOcc 0
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122 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 7.53102 6.77938 4.99891 numMergedOcc 0
123 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 6.58569 7.76676 5.32839 numMergedOcc 0
124 mol 264 unq 0 iso 0 dist 8.43858 10.2215 9.361 12.5468 9.0012 9.74238 numMergedOcc 0
125 mol 264 unq 1 iso 0 dist 8.43858 10.2215 9.361 15.8008 9.5784 9.85579 numMergedOcc 0
126 mol 264 unq 2 iso 0 dist 8.43858 8.55312 6.24356 12.5468 9.0012 5.12409 numMergedOcc 0
127 mol 264 unq 3 iso 0 dist 8.43858 8.55312 6.24356 15.8008 9.5784 9.67998 numMergedOcc 0
128 mol 265 unq 0 iso 0 dist 9.772 5.75478 8.4218 5.55314 6.34034 6.43013 numMergedOcc 0
129 mol 272 unq 0 iso 0 dist 9.96394 11.5918 8.33638 5.98845 6.73206 5.63139 numMergedOcc 0
130 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 13.8592 9.41725 6.58374 numMergedOcc 0
