0 mol 14 unq 0 iso 0 dist 6.30573 4.81121 9.7022 7.95811 9.58196 5.53425 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 6.30573 7.95811 9.58196 4.81121 9.7022 5.53425 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.30573 4.81121 9.7022 6.24146 9.04767 5.67201 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 6.30573 6.24146 9.04767 4.81121 9.7022 5.67201 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 6.30573 7.95811 9.58196 6.24146 9.04767 4.53725 numMergedOcc 0
5 mol 14 unq 1 iso 1 dist 6.30573 6.24146 9.04767 7.95811 9.58196 4.53725 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.06561 5.46498 5.32694 numMergedOcc 0
7 mol 16 unq 0 iso 1 dist 7.46752 6.06561 5.46498 5.66097 7.63133 5.32694 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 8.02077 8.71745 10.4155 numMergedOcc 0
9 mol 16 unq 1 iso 1 dist 7.46752 8.02077 8.71745 5.66097 7.63133 10.4155 numMergedOcc 0
10 mol 16 unq 1 iso 0 dist 7.46752 6.06561 5.46498 8.02077 8.71745 5.74188 numMergedOcc 0
11 mol 16 unq 1 iso 1 dist 7.46752 8.02077 8.71745 6.06561 5.46498 5.74188 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 8.18518 14.1404 8.4674 6.57145 4.54938 7.67038 numMergedOcc 0
13 mol 19 unq 0 iso 1 dist 8.18518 6.57145 4.54938 14.1404 8.4674 7.67038 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 8.18518 14.1404 8.4674 6.01189 7.82074 10.3915 numMergedOcc 0
15 mol 19 unq 1 iso 1 dist 8.18518 6.01189 7.82074 14.1404 8.4674 10.3915 numMergedOcc 0
16 mol 19 unq 1 iso 0 dist 8.18518 6.57145 4.54938 6.01189 7.82074 5.03957 numMergedOcc 0
17 mol 19 unq 1 iso 1 dist 8.18518 6.01189 7.82074 6.57145 4.54938 5.03957 numMergedOcc 0
18 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 6.32263 9.21998 6.05545 numMergedOcc 0
19 mol 59 unq 0 iso 1 dist 6.46655 6.32263 9.21998 8.94845 7.17396 6.05545 numMergedOcc 0
20 mol 60 unq 0 iso 0 dist 8.8058 5.09908 8.33063 12.5818 6.43294 10.1562 numMergedOcc 0
21 mol 60 unq 0 iso 1 dist 8.8058 12.5818 6.43294 5.09908 8.33063 10.1562 numMergedOcc 0
22 mol 60 unq 1 iso 0 dist 8.8058 5.09908 8.33063 10.0675 8.7531 7.29309 numMergedOcc 0
23 mol 60 unq 1 iso 1 dist 8.8058 10.0675 8.7531 5.09908 8.33063 7.29309 numMergedOcc 0
24 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 10.0675 8.7531 5.67502 numMergedOcc 0
25 mol 60 unq 1 iso 1 dist 8.8058 10.0675 8.7531 12.5818 6.43294 5.67502 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 5.79954 14.1415 9.38498 12.8388 9.96396 15.7123 numMergedOcc 0
27 mol 73 unq 0 iso 1 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 9.65653 9.75218 13.7412 numMergedOcc 0
29 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 14.1415 9.38498 13.7412 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 12.8388 9.96396 12.016 numMergedOcc 0
32 mol 73 unq 2 iso 0 dist 7.01889 7.9573 9.38498 15.0744 9.96396 15.7123 numMergedOcc 0
33 mol 73 unq 2 iso 1 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 numMergedOcc 0
34 mol 73 unq 3 iso 0 dist 7.01889 7.9573 9.38498 8.11922 9.75218 13.7412 numMergedOcc 0
35 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 7.9573 9.38498 13.7412 numMergedOcc 0
36 mol 73 unq 3 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 numMergedOcc 0
37 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 15.0744 9.96396 12.016 numMergedOcc 0
38 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 3.85308 7.66905 5.42586 numMergedOcc 0
39 mol 85 unq 0 iso 1 dist 9.22376 3.85308 7.66905 5.75796 7.47541 5.42586 numMergedOcc 0
40 mol 85 unq 1 iso 0 dist 9.22376 5.75796 7.47541 9.77828 5.73196 6.87425 numMergedOcc 0
41 mol 85 unq 1 iso 1 dist 9.22376 9.77828 5.73196 5.75796 7.47541 6.87425 numMergedOcc 0
42 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 9.77828 5.73196 10.1164 numMergedOcc 0
43 mol 85 unq 1 iso 1 dist 9.22376 9.77828 5.73196 3.85308 7.66905 10.1164 numMergedOcc 0
44 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 12.6939 8.31336 5.57085 numMergedOcc 0
45 mol 88 unq 0 iso 1 dist 7.76275 12.6939 8.31336 13.1838 9.36773 5.57085 numMergedOcc 0
46 mol 95 unq 0 iso 0 dist 9.40559 13.018 7.27724 11.8978 8.03644 8.41707 numMergedOcc 0
47 mol 95 unq 0 iso 1 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 numMergedOcc 0
48 mol 95 unq 1 iso 0 dist 8.26838 4.33346 9.03572 7.47119 8.83255 6.59319 numMergedOcc 0
49 mol 95 unq 1 iso 1 dist 8.26838 7.47119 8.83255 4.33346 9.03572 6.59319 numMergedOcc 0
50 mol 95 unq 2 iso 0 dist 8.26838 4.33346 9.03572 15.4217 8.03644 16.6055 numMergedOcc 0
51 mol 95 unq 2 iso 1 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 numMergedOcc 0
52 mol 95 unq 2 iso 0 dist 8.26838 7.47119 8.83255 15.4217 8.03644 13.8105 numMergedOcc 0
53 mol 95 unq 2 iso 1 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 numMergedOcc 0
54 mol 112 unq 0 iso 0 dist 5.81552 10.626 9.60462 5.27363 7.45389 7.05226 numMergedOcc 0
55 mol 112 unq 0 iso 1 dist 5.81552 5.27363 7.45389 10.626 9.60462 7.05226 numMergedOcc 0
56 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 7.64822 7.88312 7.69052 numMergedOcc 0
57 mol 115 unq 0 iso 1 dist 9.56867 7.64822 7.88312 9.97256 6.11741 7.69052 numMergedOcc 0
58 mol 115 unq 1 iso 0 dist 8.35604 5.3967 5.11551 11.9798 7.11972 6.5838 numMergedOcc 0
59 mol 115 unq 1 iso 1 dist 8.35604 11.9798 7.11972 5.3967 5.11551 6.5838 numMergedOcc 0
60 mol 115 unq 2 iso 0 dist 7.83568 7.10772 5.11551 11.3906 7.11972 6.5838 numMergedOcc 0
61 mol 115 unq 2 iso 1 dist 7.83568 11.3906 7.11972 7.10772 5.11551 6.5838 numMergedOcc 0
62 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 9.71227 8.22656 6.65743 numMergedOcc 0
63 mol 133 unq 0 iso 1 dist 7.15203 9.71227 8.22656 5.38237 7.24514 6.65743 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 numMergedOcc 0
65 mol 134 unq 0 iso 1 dist 5.67862 12.4156 9.71307 9.52819 6.37586 6.81259 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 7.97208 12.5576 6.54501 9.52819 6.49416 5.00526 numMergedOcc 0
67 mol 134 unq 1 iso 1 dist 7.97208 9.52819 6.49416 12.5576 6.54501 5.00526 numMergedOcc 0
68 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 12.753 9.92231 7.42466 numMergedOcc 0
69 mol 175 unq 0 iso 1 dist 6.73365 12.753 9.92231 5.73338 5.6234 7.42466 numMergedOcc 0
70 mol 175 unq 1 iso 0 dist 6.6776 13.7028 9.0018 10.4662 5.6234 6.2715 numMergedOcc 0
71 mol 175 unq 1 iso 1 dist 6.6776 10.4662 5.6234 13.7028 9.0018 6.2715 numMergedOcc 0
72 mol 175 unq 2 iso 0 dist 6.6776 13.7028 9.0018 7.42609 6.57069 8.16421 numMergedOcc 0
73 mol 175 unq 2 iso 1 dist 6.6776 7.42609 6.57069 13.7028 9.0018 8.16421 numMergedOcc 0
74 mol 175 unq 2 iso 0 dist 6.6776 10.4662 5.6234 7.42609 6.57069 5.35493 numMergedOcc 0
75 mol 175 unq 2 iso 1 dist 6.6776 7.42609 6.57069 10.4662 5.6234 5.35493 numMergedOcc 0
76 mol 186 unq 0 iso 0 dist 6.86297 8.03427 8.87694 7.56632 9.09754 9.50685 numMergedOcc 0
77 mol 186 unq 0 iso 1 dist 6.86297 7.56632 9.09754 8.03427 8.87694 9.50685 numMergedOcc 0
78 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 9.54287 8.51516 10.8344 numMergedOcc 0
79 mol 204 unq 0 iso 1 dist 7.7292 9.54287 8.51516 13.4646 7.10633 10.8344 numMergedOcc 0
80 mol 206 unq 0 iso 0 dist 7.10166 5.15743 8.02137 13.609 9.774 10.4 numMergedOcc 0
81 mol 206 unq 0 iso 1 dist 7.10166 13.609 9.774 5.15743 8.02137 10.4 numMergedOcc 0
82 mol 206 unq 1 iso 0 dist 9.66896 15.7773 8.02137 12.0196 9.774 10.4 numMergedOcc 0
83 mol 206 unq 1 iso 1 dist 9.66896 12.0196 9.774 15.7773 8.02137 10.4 numMergedOcc 0
84 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 9.11345 7.14453 9.10746 numMergedOcc 0
85 mol 214 unq 0 iso 1 dist 9.40003 9.11345 7.14453 16.5528 9.65138 9.10746 numMergedOcc 0
86 mol 214 unq 1 iso 0 dist 9.40003 16.5528 9.65138 16.922 8.85478 4.40923 numMergedOcc 0
87 mol 214 unq 1 iso 1 dist 9.40003 16.922 8.85478 16.5528 9.65138 4.40923 numMergedOcc 0
88 mol 214 unq 1 iso 0 dist 9.40003 9.11345 7.14453 16.922 8.85478 11.3796 numMergedOcc 0
89 mol 214 unq 1 iso 1 dist 9.40003 16.922 8.85478 9.11345 7.14453 11.3796 numMergedOcc 0
90 mol 214 unq 2 iso 0 dist 8.68385 10.2443 9.65138 12.5421 7.14453 9.10746 numMergedOcc 0
91 mol 214 unq 2 iso 1 dist 8.68385 12.5421 7.14453 10.2443 9.65138 9.10746 numMergedOcc 0
92 mol 214 unq 3 iso 0 dist 8.68385 10.2443 9.65138 9.18071 8.85478 4.40923 numMergedOcc 0
93 mol 214 unq 3 iso 1 dist 8.68385 9.18071 8.85478 10.2443 9.65138 4.40923 numMergedOcc 0
94 mol 214 unq 3 iso 0 dist 8.68385 12.5421 7.14453 9.18071 8.85478 11.3796 numMergedOcc 0
95 mol 214 unq 3 iso 1 dist 8.68385 9.18071 8.85478 12.5421 7.14453 11.3796 numMergedOcc 0
96 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 15.396 8.24498 10.5449 numMergedOcc 0
97 mol 220 unq 0 iso 1 dist 8.9077 15.396 8.24498 10.6943 9.23153 10.5449 numMergedOcc 0
98 mol 222 unq 0 iso 0 dist 8.69148 6.52189 8.01589 5.33282 7.7699 10.4579 numMergedOcc 0
99 mol 222 unq 0 iso 1 dist 8.69148 5.33282 7.7699 6.52189 8.01589 10.4579 numMergedOcc 0
100 mol 222 unq 1 iso 0 dist 8.69148 6.52189 8.01589 9.97859 7.21333 13.3522 numMergedOcc 0
101 mol 222 unq 1 iso 1 dist 8.69148 9.97859 7.21333 6.52189 8.01589 13.3522 numMergedOcc 0
102 mol 222 unq 1 iso 0 dist 8.69148 5.33282 7.7699 9.97859 7.21333 5.24516 numMergedOcc 0
103 mol 222 unq 1 iso 1 dist 8.69148 9.97859 7.21333 5.33282 7.7699 5.24516 numMergedOcc 0
104 mol 222 unq 2 iso 0 dist 7.27481 5.68063 6.00706 5.90074 7.54212 6.8425 numMergedOcc 0
105 mol 222 unq 2 iso 1 dist 7.27481 5.90074 7.54212 5.68063 6.00706 6.8425 numMergedOcc 0
106 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 13.1422 8.6166 8.51421 numMergedOcc 0
107 mol 223 unq 0 iso 1 dist 9.94212 13.1422 8.6166 11.4946 8.77153 8.51421 numMergedOcc 0
108 mol 224 unq 0 iso 0 dist 7.04127 11.7724 9.40098 4.55824 6.61986 9.54151 numMergedOcc 0
109 mol 224 unq 0 iso 1 dist 7.04127 4.55824 6.61986 11.7724 9.40098 9.54151 numMergedOcc 0
110 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 10.2117 8.40182 4.06055 numMergedOcc 0
111 mol 231 unq 0 iso 1 dist 9.98232 10.2117 8.40182 10.9863 7.37839 4.06055 numMergedOcc 0
112 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 4.88785 6.84306 5.79505 numMergedOcc 0
113 mol 236 unq 0 iso 1 dist 9.97357 4.88785 6.84306 8.3919 8.03456 5.79505 numMergedOcc 0
114 mol 236 unq 1 iso 0 dist 9.97357 8.3919 8.03456 10.2557 9.99038 9.90963 numMergedOcc 0
115 mol 236 unq 1 iso 1 dist 9.97357 10.2557 9.99038 8.3919 8.03456 9.90963 numMergedOcc 0
116 mol 236 unq 2 iso 0 dist 9.97357 8.3919 8.03456 14.6755 9.78037 6.96005 numMergedOcc 0
117 mol 236 unq 2 iso 1 dist 9.97357 14.6755 9.78037 8.3919 8.03456 6.96005 numMergedOcc 0
118 mol 236 unq 3 iso 0 dist 9.97357 8.3919 8.03456 16.5918 8.35971 14.2337 numMergedOcc 0
119 mol 236 unq 3 iso 1 dist 9.97357 16.5918 8.35971 8.3919 8.03456 14.2337 numMergedOcc 0
120 mol 236 unq 1 iso 0 dist 9.97357 4.88785 6.84306 10.2557 9.99038 11.3368 numMergedOcc 0
121 mol 236 unq 1 iso 1 dist 9.97357 10.2557 9.99038 4.88785 6.84306 11.3368 numMergedOcc 0
122 mol 236 unq 2 iso 0 dist 9.97357 4.88785 6.84306 14.6755 9.78037 11.8739 numMergedOcc 0
123 mol 236 unq 2 iso 1 dist 9.97357 14.6755 9.78037 4.88785 6.84306 11.8739 numMergedOcc 0
124 mol 236 unq 3 iso 0 dist 9.97357 4.88785 6.84306 16.5918 8.35971 14.7998 numMergedOcc 0
125 mol 236 unq 3 iso 1 dist 9.97357 16.5918 8.35971 4.88785 6.84306 14.7998 numMergedOcc 0
126 mol 236 unq 2 iso 0 dist 9.97357 10.2557 9.99038 14.6755 9.78037 11.1557 numMergedOcc 0
127 mol 236 unq 2 iso 1 dist 9.97357 14.6755 9.78037 10.2557 9.99038 11.1557 numMergedOcc 0
128 mol 236 unq 3 iso 0 dist 9.97357 10.2557 9.99038 16.5918 8.35971 10.7497 numMergedOcc 0
129 mol 236 unq 3 iso 1 dist 9.97357 16.5918 8.35971 10.2557 9.99038 10.7497 numMergedOcc 0
130 mol 236 unq 3 iso 0 dist 9.97357 14.6755 9.78037 16.5918 8.35971 12.0369 numMergedOcc 0
131 mol 236 unq 3 iso 1 dist 9.97357 16.5918 8.35971 14.6755 9.78037 12.0369 numMergedOcc 0
132 mol 236 unq 4 iso 0 dist 6.73134 5.52669 8.04248 5.27568 8.35971 7.43758 numMergedOcc 0
133 mol 236 unq 4 iso 1 dist 6.73134 5.27568 8.35971 5.52669 8.04248 7.43758 numMergedOcc 0
134 mol 236 unq 5 iso 0 dist 6.36941 8.3919 9.81562 4.88785 7.68742 5.79505 numMergedOcc 0
135 mol 236 unq 5 iso 1 dist 6.36941 4.88785 7.68742 8.3919 9.81562 5.79505 numMergedOcc 0
136 mol 236 unq 6 iso 0 dist 6.36941 8.3919 9.81562 10.2557 6.27581 9.90963 numMergedOcc 0
137 mol 236 unq 6 iso 1 dist 6.36941 10.2557 6.27581 8.3919 9.81562 9.90963 numMergedOcc 0
138 mol 236 unq 6 iso 0 dist 6.36941 4.88785 7.68742 10.2557 6.27581 11.3368 numMergedOcc 0
139 mol 236 unq 6 iso 1 dist 6.36941 10.2557 6.27581 4.88785 7.68742 11.3368 numMergedOcc 0
140 mol 253 unq 0 iso 0 dist 7.71295 4.84708 8.31064 6.27022 6.73034 8.02948 numMergedOcc 0
141 mol 253 unq 0 iso 1 dist 7.71295 6.27022 6.73034 4.84708 8.31064 8.02948 numMergedOcc 0
142 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 12.7595 7.88519 4.69778 numMergedOcc 0
143 mol 259 unq 0 iso 1 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 numMergedOcc 0
144 mol 272 unq 0 iso 0 dist 6.62923 11.9042 9.97651 5.27123 8.46116 8.12676 numMergedOcc 0
145 mol 272 unq 0 iso 1 dist 6.62923 5.27123 8.46116 11.9042 9.97651 8.12676 numMergedOcc 0
146 mol 276 unq 0 iso 0 dist 5.30976 7.38126 9.8993 6.39319 6.87396 6.88557 numMergedOcc 0
147 mol 276 unq 0 iso 1 dist 5.30976 6.39319 6.87396 7.38126 9.8993 6.88557 numMergedOcc 0
148 mol 280 unq 0 iso 0 dist 8.27417 12.0417 6.53701 7.26698 6.0664 5.51836 numMergedOcc 0
149 mol 280 unq 0 iso 1 dist 8.27417 7.26698 6.0664 12.0417 6.53701 5.51836 numMergedOcc 0
