0 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 6.32263 9.21998 6.05545 9.85425 6.56212 7.31539 11.1607 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 6.46655 6.32263 9.21998 8.94845 7.17396 6.05545 9.85425 6.56212 11.1607 7.31539 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.79954 14.1415 9.38498 12.8388 9.96396 15.7123 11.5216 9.73086 17.4121 5.70116 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 5.79954 12.8388 9.96396 14.1415 9.38498 15.7123 11.5216 9.73086 5.70116 17.4121 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 9.65653 9.75218 13.7412 11.5216 9.73086 17.4121 14.844 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 14.1415 9.38498 13.7412 11.5216 9.73086 14.844 17.4121 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 9.65653 9.75218 12.016 11.5216 9.73086 5.70116 14.844 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 5.79954 9.65653 9.75218 12.8388 9.96396 12.016 11.5216 9.73086 14.844 5.70116 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 7.01889 7.9573 9.38498 15.0744 9.96396 15.7123 16.3376 9.73086 17.4121 5.70116 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 7.01889 15.0744 9.96396 7.9573 9.38498 15.7123 16.3376 9.73086 5.70116 17.4121 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.01889 7.9573 9.38498 8.11922 9.75218 13.7412 16.3376 9.73086 17.4121 14.844 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 7.9573 9.38498 13.7412 16.3376 9.73086 14.844 17.4121 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 7.01889 15.0744 9.96396 8.11922 9.75218 12.016 16.3376 9.73086 5.70116 14.844 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 7.01889 8.11922 9.75218 15.0744 9.96396 12.016 16.3376 9.73086 14.844 5.70116 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.40559 13.018 7.27724 11.8978 8.03644 8.41707 12.698 9.3948 3.94537 11.3215 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 12.698 9.3948 11.3215 3.94537 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.40559 13.018 7.27724 11.8978 8.03644 8.41707 12.5563 9.74607 6.12605 5.06946 numMergedOcc 0
17 mol 95 unq 1 iso 1 dist 9.40559 11.8978 8.03644 13.018 7.27724 8.41707 12.5563 9.74607 5.06946 6.12605 numMergedOcc 0
18 mol 95 unq 2 iso 0 dist 8.26838 4.33346 9.03572 7.47119 8.83255 6.59319 8.32734 8.27883 4.99174 8.67311 numMergedOcc 0
19 mol 95 unq 2 iso 1 dist 8.26838 7.47119 8.83255 4.33346 9.03572 6.59319 8.32734 8.27883 8.67311 4.99174 numMergedOcc 0
20 mol 95 unq 3 iso 0 dist 8.26838 4.33346 9.03572 7.47119 8.83255 6.59319 4.79063 5.75428 4.46005 3.94293 numMergedOcc 0
21 mol 95 unq 3 iso 1 dist 8.26838 7.47119 8.83255 4.33346 9.03572 6.59319 4.79063 5.75428 3.94293 4.46005 numMergedOcc 0
22 mol 95 unq 4 iso 0 dist 8.26838 4.33346 9.03572 7.47119 8.83255 6.59319 4.05985 8.57395 8.28518 9.22202 numMergedOcc 0
23 mol 95 unq 4 iso 1 dist 8.26838 7.47119 8.83255 4.33346 9.03572 6.59319 4.05985 8.57395 9.22202 8.28518 numMergedOcc 0
24 mol 95 unq 5 iso 0 dist 8.26838 4.33346 9.03572 7.47119 8.83255 6.59319 12.6917 9.85409 15.917 13.7484 numMergedOcc 0
25 mol 95 unq 5 iso 1 dist 8.26838 7.47119 8.83255 4.33346 9.03572 6.59319 12.6917 9.85409 13.7484 15.917 numMergedOcc 0
26 mol 95 unq 6 iso 0 dist 8.26838 4.33346 9.03572 15.4217 8.03644 16.6055 8.32734 8.27883 4.99174 15.6249 numMergedOcc 0
27 mol 95 unq 6 iso 1 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 8.32734 8.27883 15.6249 4.99174 numMergedOcc 0
28 mol 95 unq 7 iso 0 dist 8.26838 4.33346 9.03572 15.4217 8.03644 16.6055 4.79063 5.75428 4.46005 12.4896 numMergedOcc 0
29 mol 95 unq 7 iso 1 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 4.79063 5.75428 12.4896 4.46005 numMergedOcc 0
30 mol 95 unq 8 iso 0 dist 8.26838 4.33346 9.03572 15.4217 8.03644 16.6055 4.05985 8.57395 8.28518 14.2178 numMergedOcc 0
31 mol 95 unq 8 iso 1 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 4.05985 8.57395 14.2178 8.28518 numMergedOcc 0
32 mol 95 unq 9 iso 0 dist 8.26838 4.33346 9.03572 15.4217 8.03644 16.6055 12.6917 9.85409 15.917 8.78079 numMergedOcc 0
33 mol 95 unq 9 iso 1 dist 8.26838 15.4217 8.03644 4.33346 9.03572 16.6055 12.6917 9.85409 8.78079 15.917 numMergedOcc 0
34 mol 95 unq 6 iso 0 dist 8.26838 7.47119 8.83255 15.4217 8.03644 13.8105 8.32734 8.27883 8.67311 15.6249 numMergedOcc 0
35 mol 95 unq 6 iso 1 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 8.32734 8.27883 15.6249 8.67311 numMergedOcc 0
36 mol 95 unq 7 iso 0 dist 8.26838 7.47119 8.83255 15.4217 8.03644 13.8105 4.79063 5.75428 3.94293 12.4896 numMergedOcc 0
37 mol 95 unq 7 iso 1 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 4.79063 5.75428 12.4896 3.94293 numMergedOcc 0
38 mol 95 unq 8 iso 0 dist 8.26838 7.47119 8.83255 15.4217 8.03644 13.8105 4.05985 8.57395 9.22202 14.2178 numMergedOcc 0
39 mol 95 unq 8 iso 1 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 4.05985 8.57395 14.2178 9.22202 numMergedOcc 0
40 mol 95 unq 9 iso 0 dist 8.26838 7.47119 8.83255 15.4217 8.03644 13.8105 12.6917 9.85409 13.7484 8.78079 numMergedOcc 0
41 mol 95 unq 9 iso 1 dist 8.26838 15.4217 8.03644 7.47119 8.83255 13.8105 12.6917 9.85409 8.78079 13.7484 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 9.71227 8.22656 6.65743 5.94578 8.26547 5.03174 4.88025 numMergedOcc 0
43 mol 133 unq 0 iso 1 dist 7.15203 9.71227 8.22656 5.38237 7.24514 6.65743 5.94578 8.26547 4.88025 5.03174 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 7.77359 9.33924 6.95573 10.2026 numMergedOcc 0
45 mol 134 unq 0 iso 1 dist 5.67862 12.4156 9.71307 9.52819 6.37586 6.81259 7.77359 9.33924 10.2026 6.95573 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 12.4156 9.71307 6.81259 10.8891 7.93372 8.06642 4.00092 numMergedOcc 0
47 mol 134 unq 1 iso 1 dist 5.67862 12.4156 9.71307 9.52819 6.37586 6.81259 10.8891 7.93372 4.00092 8.06642 numMergedOcc 0
48 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 9.54287 8.51516 10.8344 5.99091 7.9133 10.7169 5.57347 numMergedOcc 0
49 mol 204 unq 0 iso 1 dist 7.7292 9.54287 8.51516 13.4646 7.10633 10.8344 5.99091 7.9133 5.57347 10.7169 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 9.11345 7.14453 9.10746 7.66602 7.46481 11.4955 8.459 numMergedOcc 0
51 mol 214 unq 0 iso 1 dist 9.40003 9.11345 7.14453 16.5528 9.65138 9.10746 7.66602 7.46481 8.459 11.4955 numMergedOcc 0
52 mol 214 unq 1 iso 0 dist 9.40003 16.5528 9.65138 16.922 8.85478 4.40923 7.66602 7.46481 11.4955 11.1534 numMergedOcc 0
53 mol 214 unq 1 iso 1 dist 9.40003 16.922 8.85478 16.5528 9.65138 4.40923 7.66602 7.46481 11.1534 11.4955 numMergedOcc 0
54 mol 214 unq 1 iso 0 dist 9.40003 9.11345 7.14453 16.922 8.85478 11.3796 7.66602 7.46481 8.459 11.1534 numMergedOcc 0
55 mol 214 unq 1 iso 1 dist 9.40003 16.922 8.85478 9.11345 7.14453 11.3796 7.66602 7.46481 11.1534 8.459 numMergedOcc 0
56 mol 214 unq 2 iso 0 dist 8.68385 10.2443 9.65138 12.5421 7.14453 9.10746 15.5553 7.46481 11.4955 8.459 numMergedOcc 0
57 mol 214 unq 2 iso 1 dist 8.68385 12.5421 7.14453 10.2443 9.65138 9.10746 15.5553 7.46481 8.459 11.4955 numMergedOcc 0
58 mol 214 unq 3 iso 0 dist 8.68385 10.2443 9.65138 9.18071 8.85478 4.40923 15.5553 7.46481 11.4955 11.1534 numMergedOcc 0
59 mol 214 unq 3 iso 1 dist 8.68385 9.18071 8.85478 10.2443 9.65138 4.40923 15.5553 7.46481 11.1534 11.4955 numMergedOcc 0
60 mol 214 unq 3 iso 0 dist 8.68385 12.5421 7.14453 9.18071 8.85478 11.3796 15.5553 7.46481 8.459 11.1534 numMergedOcc 0
61 mol 214 unq 3 iso 1 dist 8.68385 9.18071 8.85478 12.5421 7.14453 11.3796 15.5553 7.46481 11.1534 8.459 numMergedOcc 0
62 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 5.90074 7.54212 6.8425 12.9462 6.74196 8.84507 12.8595 numMergedOcc 0
63 mol 222 unq 0 iso 1 dist 7.27481 5.90074 7.54212 5.68063 6.00706 6.8425 12.9462 6.74196 12.8595 8.84507 numMergedOcc 0
64 mol 222 unq 1 iso 0 dist 7.27481 5.68063 6.00706 5.90074 7.54212 6.8425 9.50604 8.36842 6.02502 12.5866 numMergedOcc 0
65 mol 222 unq 1 iso 1 dist 7.27481 5.90074 7.54212 5.68063 6.00706 6.8425 9.50604 8.36842 12.5866 6.02502 numMergedOcc 0
66 mol 222 unq 2 iso 0 dist 7.27481 5.68063 6.00706 5.90074 7.54212 6.8425 9.68195 9.75472 5.18677 11.9567 numMergedOcc 0
67 mol 222 unq 2 iso 1 dist 7.27481 5.90074 7.54212 5.68063 6.00706 6.8425 9.68195 9.75472 11.9567 5.18677 numMergedOcc 0
68 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 13.1422 8.6166 8.51421 8.1388 6.42257 4.04036 9.47076 numMergedOcc 0
69 mol 223 unq 0 iso 1 dist 9.94212 13.1422 8.6166 11.4946 8.77153 8.51421 8.1388 6.42257 9.47076 4.04036 numMergedOcc 0
70 mol 223 unq 1 iso 0 dist 9.94212 11.4946 8.77153 13.1422 8.6166 8.51421 14.288 9.33543 13.1538 5.39728 numMergedOcc 0
71 mol 223 unq 1 iso 1 dist 9.94212 13.1422 8.6166 11.4946 8.77153 8.51421 14.288 9.33543 5.39728 13.1538 numMergedOcc 0
72 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 4.88785 7.68742 5.79505 5.3331 9.3206 4.27181 4.89609 numMergedOcc 0
73 mol 236 unq 0 iso 1 dist 6.36941 4.88785 7.68742 8.3919 9.81562 5.79505 5.3331 9.3206 4.89609 4.27181 numMergedOcc 0
74 mol 236 unq 1 iso 0 dist 6.36941 8.3919 9.81562 10.2557 6.27581 9.90963 5.3331 9.3206 4.27181 10.5774 numMergedOcc 0
75 mol 236 unq 1 iso 1 dist 6.36941 10.2557 6.27581 8.3919 9.81562 9.90963 5.3331 9.3206 10.5774 4.27181 numMergedOcc 0
76 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 10.2557 6.27581 11.3368 5.3331 9.3206 4.89609 10.5774 numMergedOcc 0
77 mol 236 unq 1 iso 1 dist 6.36941 10.2557 6.27581 4.88785 7.68742 11.3368 5.3331 9.3206 10.5774 4.89609 numMergedOcc 0
78 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 12.7595 7.88519 4.69778 8.41608 9.46361 12.2293 11.6988 numMergedOcc 0
79 mol 259 unq 0 iso 1 dist 6.96379 12.7595 7.88519 10.908 8.13497 4.69778 8.41608 9.46361 11.6988 12.2293 numMergedOcc 0
80 mol 276 unq 0 iso 0 dist 5.30976 7.38126 9.8993 6.39319 6.87396 6.88557 3.87012 8.6759 9.39944 8.26321 numMergedOcc 0
81 mol 276 unq 0 iso 1 dist 5.30976 6.39319 6.87396 7.38126 9.8993 6.88557 3.87012 8.6759 8.26321 9.39944 numMergedOcc 0
