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1 mol 7 unq 0 iso 1 dist 7.10621 7.67927 11.143 6.1206 7.12508 4.80709 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 8.55451 8.69454 5.8245 5.84314 3.58336 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.57077 5.8245 5.84314 8.55451 8.69454 3.58336 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 5.05803 6.42835 5.01101 6.57331 4.65873 6.09368 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 5.05803 6.57331 4.65873 6.42835 5.01101 6.09368 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.38394 8.09311 6.17155 9.05357 10.3122 9.95274 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 8.38394 9.05357 10.3122 8.09311 6.17155 9.95274 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 5.54419 6.6219 4.82629 5.68215 10.1698 10.512 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 7.36323 8.87744 6.28159 7.27472 5.50396 3.73215 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 7.36323 7.27472 5.50396 8.87744 6.28159 3.73215 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 5.04899 7.52933 5.03027 6.55597 4.69295 6.53015 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 5.04899 6.55597 4.69295 7.52933 5.03027 6.53015 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 5.04899 7.52933 5.03027 9.71956 12.2542 11.8984 numMergedOcc 0
17 mol 25 unq 1 iso 1 dist 5.04899 9.71956 12.2542 7.52933 5.03027 11.8984 numMergedOcc 0
18 mol 25 unq 2 iso 0 dist 5.04899 7.52933 5.03027 7.07751 8.79309 8.64476 numMergedOcc 0
19 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 7.52933 5.03027 8.64476 numMergedOcc 0
20 mol 25 unq 3 iso 0 dist 5.04899 7.52933 5.03027 8.23761 8.17061 4.64241 numMergedOcc 0
21 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 7.52933 5.03027 4.64241 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 5.04899 7.52933 5.03027 9.49421 13.6145 16.0628 numMergedOcc 0
23 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 7.52933 5.03027 16.0628 numMergedOcc 0
24 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 9.71956 12.2542 9.19736 numMergedOcc 0
25 mol 25 unq 1 iso 1 dist 5.04899 9.71956 12.2542 6.55597 4.69295 9.19736 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 5.04899 6.55597 4.69295 7.07751 8.79309 5.78812 numMergedOcc 0
27 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 6.55597 4.69295 5.78812 numMergedOcc 0
28 mol 25 unq 3 iso 0 dist 5.04899 6.55597 4.69295 8.23761 8.17061 7.36721 numMergedOcc 0
29 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 6.55597 4.69295 7.36721 numMergedOcc 0
30 mol 25 unq 4 iso 0 dist 5.04899 6.55597 4.69295 9.49421 13.6145 12.1732 numMergedOcc 0
31 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 6.55597 4.69295 12.1732 numMergedOcc 0
32 mol 25 unq 2 iso 0 dist 5.04899 9.71956 12.2542 7.07751 8.79309 3.56099 numMergedOcc 0
33 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 9.71956 12.2542 3.56099 numMergedOcc 0
34 mol 25 unq 3 iso 0 dist 5.04899 9.71956 12.2542 8.23761 8.17061 8.42944 numMergedOcc 0
35 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 9.71956 12.2542 8.42944 numMergedOcc 0
36 mol 25 unq 4 iso 0 dist 5.04899 9.71956 12.2542 9.49421 13.6145 8.99147 numMergedOcc 0
37 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 9.71956 12.2542 8.99147 numMergedOcc 0
38 mol 25 unq 3 iso 0 dist 5.04899 7.07751 8.79309 8.23761 8.17061 5.99526 numMergedOcc 0
39 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 7.07751 8.79309 5.99526 numMergedOcc 0
40 mol 25 unq 4 iso 0 dist 5.04899 7.07751 8.79309 9.49421 13.6145 9.54872 numMergedOcc 0
41 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 7.07751 8.79309 9.54872 numMergedOcc 0
42 mol 25 unq 4 iso 0 dist 5.04899 8.23761 8.17061 9.49421 13.6145 14.6175 numMergedOcc 0
43 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 8.23761 8.17061 14.6175 numMergedOcc 0
44 mol 25 unq 5 iso 0 dist 7.57578 4.79873 10.2864 9.48085 5.18617 12.7147 numMergedOcc 0
45 mol 25 unq 5 iso 1 dist 7.57578 9.48085 5.18617 4.79873 10.2864 12.7147 numMergedOcc 0
46 mol 25 unq 6 iso 0 dist 7.17969 4.79873 11.4148 9.48085 5.68041 12.7147 numMergedOcc 0
47 mol 25 unq 6 iso 1 dist 7.17969 9.48085 5.68041 4.79873 11.4148 12.7147 numMergedOcc 0
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49 mol 58 unq 0 iso 1 dist 6.35756 8.01308 5.86526 8.96727 9.87158 6.20884 numMergedOcc 0
50 mol 60 unq 0 iso 0 dist 8.90863 9.95132 8.27828 7.48086 7.80499 8.42811 numMergedOcc 0
51 mol 60 unq 0 iso 1 dist 8.90863 7.48086 7.80499 9.95132 8.27828 8.42811 numMergedOcc 0
52 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 9.10345 13.4212 9.20237 numMergedOcc 0
53 mol 72 unq 0 iso 1 dist 9.96708 9.10345 13.4212 9.55118 5.69391 9.20237 numMergedOcc 0
54 mol 72 unq 1 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 numMergedOcc 0
55 mol 72 unq 1 iso 1 dist 9.78528 5.03251 9.67587 6.21799 7.47371 3.43675 numMergedOcc 0
56 mol 72 unq 2 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 numMergedOcc 0
57 mol 72 unq 2 iso 1 dist 9.78528 7.66093 7.07356 6.21799 7.47371 5.75711 numMergedOcc 0
58 mol 72 unq 2 iso 0 dist 9.78528 5.03251 9.67587 7.66093 7.07356 5.26077 numMergedOcc 0
59 mol 72 unq 2 iso 1 dist 9.78528 7.66093 7.07356 5.03251 9.67587 5.26077 numMergedOcc 0
60 mol 72 unq 3 iso 0 dist 9.78528 9.55118 9.78221 9.10345 11.6634 9.20237 numMergedOcc 0
61 mol 72 unq 3 iso 1 dist 9.78528 9.10345 11.6634 9.55118 9.78221 9.20237 numMergedOcc 0
62 mol 73 unq 0 iso 0 dist 6.19304 8.68662 6.20232 7.4369 5.70116 3.30399 numMergedOcc 0
63 mol 73 unq 0 iso 1 dist 6.19304 7.4369 5.70116 8.68662 6.20232 3.30399 numMergedOcc 0
64 mol 73 unq 1 iso 0 dist 8.70481 5.5087 11.2069 6.08682 10.6713 5.30471 numMergedOcc 0
65 mol 73 unq 1 iso 1 dist 8.70481 6.08682 10.6713 5.5087 11.2069 5.30471 numMergedOcc 0
66 mol 95 unq 0 iso 0 dist 7.27724 9.3948 3.94537 9.74607 6.12605 8.00584 numMergedOcc 0
67 mol 95 unq 0 iso 1 dist 7.27724 9.74607 6.12605 9.3948 3.94537 8.00584 numMergedOcc 0
68 mol 95 unq 1 iso 0 dist 9.03572 8.27883 4.99174 5.75428 4.46005 6.27231 numMergedOcc 0
69 mol 95 unq 1 iso 1 dist 9.03572 5.75428 4.46005 8.27883 4.99174 6.27231 numMergedOcc 0
70 mol 95 unq 2 iso 0 dist 9.03572 8.27883 4.99174 8.57395 8.28518 11.734 numMergedOcc 0
71 mol 95 unq 2 iso 1 dist 9.03572 8.57395 8.28518 8.27883 4.99174 11.734 numMergedOcc 0
72 mol 95 unq 3 iso 0 dist 9.03572 8.27883 4.99174 9.85409 15.917 17.4304 numMergedOcc 0
73 mol 95 unq 3 iso 1 dist 9.03572 9.85409 15.917 8.27883 4.99174 17.4304 numMergedOcc 0
74 mol 95 unq 2 iso 0 dist 9.03572 5.75428 4.46005 8.57395 8.28518 6.95874 numMergedOcc 0
75 mol 95 unq 2 iso 1 dist 9.03572 8.57395 8.28518 5.75428 4.46005 6.95874 numMergedOcc 0
76 mol 95 unq 3 iso 0 dist 9.03572 5.75428 4.46005 9.85409 15.917 12.3063 numMergedOcc 0
77 mol 95 unq 3 iso 1 dist 9.03572 9.85409 15.917 5.75428 4.46005 12.3063 numMergedOcc 0
78 mol 95 unq 3 iso 0 dist 9.03572 8.57395 8.28518 9.85409 15.917 9.43547 numMergedOcc 0
79 mol 95 unq 3 iso 1 dist 9.03572 9.85409 15.917 8.57395 8.28518 9.43547 numMergedOcc 0
80 mol 95 unq 4 iso 0 dist 8.83255 8.27883 8.67311 5.75428 3.94293 6.27231 numMergedOcc 0
81 mol 95 unq 4 iso 1 dist 8.83255 5.75428 3.94293 8.27883 8.67311 6.27231 numMergedOcc 0
82 mol 95 unq 5 iso 0 dist 8.83255 8.27883 8.67311 8.57395 9.22202 11.734 numMergedOcc 0
83 mol 95 unq 5 iso 1 dist 8.83255 8.57395 9.22202 8.27883 8.67311 11.734 numMergedOcc 0
84 mol 95 unq 6 iso 0 dist 8.83255 8.27883 8.67311 9.85409 13.7484 17.4304 numMergedOcc 0
85 mol 95 unq 6 iso 1 dist 8.83255 9.85409 13.7484 8.27883 8.67311 17.4304 numMergedOcc 0
86 mol 95 unq 5 iso 0 dist 8.83255 5.75428 3.94293 8.57395 9.22202 6.95874 numMergedOcc 0
87 mol 95 unq 5 iso 1 dist 8.83255 8.57395 9.22202 5.75428 3.94293 6.95874 numMergedOcc 0
88 mol 95 unq 6 iso 0 dist 8.83255 5.75428 3.94293 9.85409 13.7484 12.3063 numMergedOcc 0
89 mol 95 unq 6 iso 1 dist 8.83255 9.85409 13.7484 5.75428 3.94293 12.3063 numMergedOcc 0
90 mol 95 unq 6 iso 0 dist 8.83255 8.57395 9.22202 9.85409 13.7484 9.43547 numMergedOcc 0
91 mol 95 unq 6 iso 1 dist 8.83255 9.85409 13.7484 8.57395 9.22202 9.43547 numMergedOcc 0
92 mol 95 unq 7 iso 0 dist 8.03644 9.3948 11.3215 9.74607 5.06946 8.00584 numMergedOcc 0
93 mol 95 unq 7 iso 1 dist 8.03644 9.74607 5.06946 9.3948 11.3215 8.00584 numMergedOcc 0
94 mol 95 unq 8 iso 0 dist 8.03644 8.27883 15.6249 5.75428 12.4896 6.27231 numMergedOcc 0
95 mol 95 unq 8 iso 1 dist 8.03644 5.75428 12.4896 8.27883 15.6249 6.27231 numMergedOcc 0
96 mol 95 unq 9 iso 0 dist 8.03644 8.27883 15.6249 8.57395 14.2178 11.734 numMergedOcc 0
97 mol 95 unq 9 iso 1 dist 8.03644 8.57395 14.2178 8.27883 15.6249 11.734 numMergedOcc 0
98 mol 95 unq 10 iso 0 dist 8.03644 8.27883 15.6249 9.85409 8.78079 17.4304 numMergedOcc 0
99 mol 95 unq 10 iso 1 dist 8.03644 9.85409 8.78079 8.27883 15.6249 17.4304 numMergedOcc 0
100 mol 95 unq 9 iso 0 dist 8.03644 5.75428 12.4896 8.57395 14.2178 6.95874 numMergedOcc 0
101 mol 95 unq 9 iso 1 dist 8.03644 8.57395 14.2178 5.75428 12.4896 6.95874 numMergedOcc 0
102 mol 95 unq 10 iso 0 dist 8.03644 5.75428 12.4896 9.85409 8.78079 12.3063 numMergedOcc 0
103 mol 95 unq 10 iso 1 dist 8.03644 9.85409 8.78079 5.75428 12.4896 12.3063 numMergedOcc 0
104 mol 95 unq 10 iso 0 dist 8.03644 8.57395 14.2178 9.85409 8.78079 9.43547 numMergedOcc 0
105 mol 95 unq 10 iso 1 dist 8.03644 9.85409 8.78079 8.57395 14.2178 9.43547 numMergedOcc 0
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107 mol 98 unq 0 iso 1 dist 6.48948 7.02507 7.03983 5.92242 3.9764 9.6331 numMergedOcc 0
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109 mol 98 unq 1 iso 1 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 numMergedOcc 0
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111 mol 100 unq 0 iso 1 dist 8.87449 9.21662 9.39125 9.90751 9.72773 6.25463 numMergedOcc 0
112 mol 100 unq 1 iso 0 dist 6.45675 7.82475 5.43561 5.35782 6.30222 3.5565 numMergedOcc 0
113 mol 100 unq 1 iso 1 dist 6.45675 5.35782 6.30222 7.82475 5.43561 3.5565 numMergedOcc 0
114 mol 100 unq 2 iso 0 dist 7.47343 7.82475 5.9143 5.35782 5.47563 3.5565 numMergedOcc 0
115 mol 100 unq 2 iso 1 dist 7.47343 5.35782 5.47563 7.82475 5.9143 3.5565 numMergedOcc 0
116 mol 100 unq 3 iso 0 dist 8.86688 7.82475 5.25234 5.35782 5.03232 3.5565 numMergedOcc 0
117 mol 100 unq 3 iso 1 dist 8.86688 5.35782 5.03232 7.82475 5.25234 3.5565 numMergedOcc 0
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119 mol 109 unq 0 iso 1 dist 7.34473 7.86666 13.0886 6.29161 6.73011 7.49425 numMergedOcc 0
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121 mol 112 unq 0 iso 1 dist 7.71338 8.0427 7.57713 8.47988 6.95317 6.38762 numMergedOcc 0
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123 mol 115 unq 0 iso 1 dist 7.30858 9.42082 15.3161 7.69765 10.3209 11.044 numMergedOcc 0
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125 mol 115 unq 1 iso 1 dist 5.83991 9.42082 6.63111 7.69765 4.48636 11.044 numMergedOcc 0
126 mol 115 unq 2 iso 0 dist 7.88312 7.69765 11.835 9.42082 6.07067 11.044 numMergedOcc 0
127 mol 115 unq 2 iso 1 dist 7.88312 9.42082 6.07067 7.69765 11.835 11.044 numMergedOcc 0
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129 mol 129 unq 0 iso 1 dist 8.54584 5.51197 12.1739 6.69691 8.26896 5.94312 numMergedOcc 0
130 mol 129 unq 1 iso 0 dist 8.54584 6.69691 8.26896 8.86944 5.63254 5.35495 numMergedOcc 0
131 mol 129 unq 1 iso 1 dist 8.54584 8.86944 5.63254 6.69691 8.26896 5.35495 numMergedOcc 0
132 mol 129 unq 1 iso 0 dist 8.54584 5.51197 12.1739 8.86944 5.63254 9.74141 numMergedOcc 0
133 mol 129 unq 1 iso 1 dist 8.54584 8.86944 5.63254 5.51197 12.1739 9.74141 numMergedOcc 0
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135 mol 134 unq 0 iso 1 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 numMergedOcc 0
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137 mol 134 unq 1 iso 1 dist 9.86662 8.69531 7.41373 9.1998 12.8086 5.83782 numMergedOcc 0
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139 mol 134 unq 2 iso 1 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 numMergedOcc 0
140 mol 134 unq 3 iso 0 dist 9.71307 9.1998 15.0225 8.69531 10.8635 5.83782 numMergedOcc 0
141 mol 134 unq 3 iso 1 dist 9.71307 8.69531 10.8635 9.1998 15.0225 5.83782 numMergedOcc 0
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145 mol 142 unq 1 iso 1 dist 7.73169 7.18002 9.99555 7.81207 5.81599 13.4681 numMergedOcc 0
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157 mol 167 unq 1 iso 1 dist 9.87651 7.02548 11.6011 9.2289 12.0033 3.55199 numMergedOcc 0
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159 mol 181 unq 0 iso 1 dist 7.81386 9.01624 5.71898 6.64173 6.8757 11.196 numMergedOcc 0
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161 mol 181 unq 1 iso 1 dist 7.81386 9.55105 5.83796 6.64173 6.8757 10.1041 numMergedOcc 0
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169 mol 181 unq 3 iso 1 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 numMergedOcc 0
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187 mol 222 unq 3 iso 1 dist 7.54212 8.36842 12.5866 6.74196 12.8595 8.10209 numMergedOcc 0
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189 mol 222 unq 4 iso 1 dist 7.54212 9.75472 11.9567 6.74196 12.8595 9.49218 numMergedOcc 0
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191 mol 222 unq 4 iso 1 dist 7.54212 9.75472 11.9567 8.36842 12.5866 3.53707 numMergedOcc 0
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195 mol 223 unq 1 iso 1 dist 8.6166 9.33543 5.39728 6.42257 9.47076 12.841 numMergedOcc 0
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197 mol 243 unq 0 iso 1 dist 8.23192 8.67156 9.89868 7.10671 5.74165 6.67199 numMergedOcc 0
198 mol 259 unq 0 iso 0 dist 7.88519 9.63573 7.20604 7.66153 8.8603 10.3051 numMergedOcc 0
199 mol 259 unq 0 iso 1 dist 7.88519 7.66153 8.8603 9.63573 7.20604 10.3051 numMergedOcc 0
200 mol 259 unq 1 iso 0 dist 7.84554 9.63573 5.05362 7.66153 5.8801 10.3051 numMergedOcc 0
201 mol 259 unq 1 iso 1 dist 7.84554 7.66153 5.8801 9.63573 5.05362 10.3051 numMergedOcc 0
202 mol 259 unq 2 iso 0 dist 7.46176 9.63573 5.21606 7.66153 11.8896 10.3051 numMergedOcc 0
203 mol 259 unq 2 iso 1 dist 7.46176 7.66153 11.8896 9.63573 5.21606 10.3051 numMergedOcc 0
204 mol 259 unq 3 iso 0 dist 7.46176 5.85442 10.067 6.95511 11.6988 3.51848 numMergedOcc 0
205 mol 259 unq 3 iso 1 dist 7.46176 6.95511 11.6988 5.85442 10.067 3.51848 numMergedOcc 0
206 mol 259 unq 4 iso 0 dist 5.30224 8.03219 4.04513 6.9899 7.09907 8.0048 numMergedOcc 0
207 mol 259 unq 4 iso 1 dist 5.30224 6.9899 7.09907 8.03219 4.04513 8.0048 numMergedOcc 0
208 mol 259 unq 5 iso 0 dist 9.18903 9.63573 7.46841 7.66153 5.81576 10.3051 numMergedOcc 0
209 mol 259 unq 5 iso 1 dist 9.18903 7.66153 5.81576 9.63573 7.46841 10.3051 numMergedOcc 0
210 mol 277 unq 0 iso 0 dist 9.7748 9.35539 11.4555 8.9682 17.6038 16.9644 numMergedOcc 0
211 mol 277 unq 0 iso 1 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 numMergedOcc 0
212 mol 277 unq 1 iso 0 dist 9.7748 9.35539 11.4555 6.92711 14.772 15.8851 numMergedOcc 0
213 mol 277 unq 1 iso 1 dist 9.7748 6.92711 14.772 9.35539 11.4555 15.8851 numMergedOcc 0
214 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 numMergedOcc 0
215 mol 277 unq 1 iso 1 dist 9.7748 6.92711 14.772 8.9682 17.6038 3.39114 numMergedOcc 0
216 mol 292 unq 0 iso 0 dist 8.2734 7.20674 7.8414 8.38121 14.179 9.14614 numMergedOcc 0
217 mol 292 unq 0 iso 1 dist 8.2734 8.38121 14.179 7.20674 7.8414 9.14614 numMergedOcc 0
