0 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 5.37568 6.42835 5.01101 10.6491 6.92781 6.31718 11.0298 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 9.62324 6.57331 4.65873 10.6491 6.92781 6.31718 8.43054 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 5.06352 6.6219 4.82629 12.4687 12.3067 7.36323 11.0181 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 7.63533 5.68215 10.1698 12.4687 12.3067 7.36323 17.003 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.87895 5.75653 7.36323 6.87351 8.87744 6.28159 11.0381 12.3067 5.54419 10.4135 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.87895 5.75653 7.36323 7.79018 7.27472 5.50396 11.0381 12.3067 5.54419 9.33482 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.7557 8.68662 6.20232 10.392 5.4148 9.96396 12.2276 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 10.7557 8.68662 6.20232 18.5427 13.3558 8.70481 13.8931 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.30194 10.5627 6.19304 11.1632 7.4369 5.70116 10.392 5.4148 9.96396 9.73086 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.30194 10.5627 6.19304 11.1632 7.4369 5.70116 18.5427 13.3558 8.70481 12.8207 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 5.79954 12.8388 9.96396 11.5216 9.73086 5.70116 10.4766 5.4148 6.19304 7.4369 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 5.79954 12.8388 9.96396 11.5216 9.73086 5.70116 15.4777 14.9342 8.70481 12.8207 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 16.3376 9.73086 5.70116 10.997 5.4148 6.19304 7.4369 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 7.01889 15.0744 9.96396 16.3376 9.73086 5.70116 17.1639 14.9342 8.70481 12.8207 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 12.698 9.3948 11.3215 18.3849 16.6055 9.03572 19.7448 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 12.698 9.3948 11.3215 15.9184 13.8105 8.83255 19.9408 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 12.5563 9.74607 5.06946 18.3849 16.6055 9.03572 11.97 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 9.40559 11.8978 8.03644 12.5563 9.74607 5.06946 15.9184 13.8105 8.83255 13.5721 numMergedOcc 0
18 mol 95 unq 4 iso 0 dist 8.26838 15.4217 8.03644 8.32734 8.27883 15.6249 15.3713 8.41707 7.27724 15.6447 numMergedOcc 0
19 mol 95 unq 5 iso 0 dist 8.26838 15.4217 8.03644 4.79063 5.75428 12.4896 15.3713 8.41707 7.27724 14.0772 numMergedOcc 0
20 mol 95 unq 6 iso 0 dist 8.26838 15.4217 8.03644 4.05985 8.57395 14.2178 15.3713 8.41707 7.27724 14.1515 numMergedOcc 0
21 mol 95 unq 7 iso 0 dist 8.26838 15.4217 8.03644 12.6917 9.85409 8.78079 15.3713 8.41707 7.27724 10.3132 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 8.46734 6.43998 7.34473 4.57343 6.29161 6.73011 10.1051 7 8.58044 11.0751 numMergedOcc 0
23 mol 109 unq 1 iso 0 dist 8.46734 6.43998 7.34473 4.57343 6.29161 6.73011 14.4597 8.40993 9.97763 13.6787 numMergedOcc 0
24 mol 109 unq 2 iso 0 dist 8.46734 6.43998 7.34473 11.3914 7.86666 13.0886 10.1051 7 8.58044 14.3511 numMergedOcc 0
25 mol 109 unq 3 iso 0 dist 8.46734 6.43998 7.34473 11.3914 7.86666 13.0886 14.4597 8.40993 9.97763 15.7916 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 6.3642 6.04595 5.03039 12.7842 10.8507 5.83991 10.5599 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 7.44784 7.64822 7.30858 6.3642 6.04595 5.03039 9.56867 11.5723 7.88312 11.8378 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 7.73139 11.0785 9.30299 4.66329 6.08673 12.8087 11.1225 7.30196 8.14887 12.1234 numMergedOcc 0
29 mol 127 unq 1 iso 0 dist 6.66607 8.89539 9.30299 7.30158 6.08673 12.8087 12.2522 7.30196 8.14887 12.1234 numMergedOcc 0
30 mol 127 unq 2 iso 0 dist 8.62711 10.345 9.30299 9.74982 6.08673 12.8087 6.65963 7.30196 8.14887 12.1234 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 5.94578 8.26547 5.03174 12.6562 6.761 9.91388 12.4934 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 7.15203 5.38237 7.24514 5.94578 8.26547 5.03174 10.7939 7.6656 9.52634 13.5471 numMergedOcc 0
33 mol 133 unq 2 iso 0 dist 7.15203 9.71227 8.22656 5.94578 8.26547 4.88025 11.0475 5.61668 6.82262 9.05342 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 7.77359 9.33924 6.95573 10.738 5.49782 8.94367 13.9752 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 7.77359 9.33924 6.95573 7.97208 5.00817 6.49416 9.55584 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 5.67862 9.52819 6.37586 10.8891 7.93372 8.06642 10.738 5.49782 8.94367 7.21868 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 5.67862 9.52819 6.37586 10.8891 7.93372 8.06642 7.97208 5.00817 6.49416 11.988 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 5.67862 12.4156 9.71307 7.77359 9.33924 10.2026 10.738 5.49782 9.86662 13.9752 numMergedOcc 0
39 mol 134 unq 5 iso 0 dist 5.67862 12.4156 9.71307 10.8891 7.93372 4.00092 10.738 5.49782 9.86662 7.21868 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 5.85073 6.61112 11.0961 15.0174 13.8792 9.70748 18.4751 numMergedOcc 0
41 mol 186 unq 1 iso 0 dist 7.45401 6.8549 7.54065 5.85073 6.61112 11.0961 11.5381 5.74635 8.87694 11.456 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 7.25658 5.38198 6.65832 4.69994 6.99769 5.76843 10.8312 6.77699 6.60589 8.79428 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 7.25658 5.38198 6.65832 4.69994 6.99769 5.76843 11.1589 11.328 9.16166 6.8692 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 5.3331 9.3206 4.27181 9.97357 7.28249 8.03456 10.1317 numMergedOcc 0
45 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 5.3331 9.3206 4.89609 9.97357 7.28249 6.84306 10.1317 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 6.36941 10.2557 6.27581 5.3331 9.3206 10.5774 9.97357 7.28249 9.99038 10.1317 numMergedOcc 0
47 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 9.33595 9.05018 4.58289 11.4848 5.55137 7.21521 9.33962 numMergedOcc 0
48 mol 248 unq 1 iso 0 dist 6.44967 9.48478 7.69895 9.33595 9.05018 4.58289 15.9246 10.8081 8.2965 11.4547 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 8.41608 9.46361 12.2293 14.2826 10.582 8.53687 18.7675 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 8.41608 9.46361 11.6988 11.7889 4.86771 7.84554 12.8903 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 8.41608 9.46361 11.6988 11.1532 6.96053 7.46176 6.95511 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 6.96379 12.7595 7.88519 8.41608 9.46361 11.6988 17.4423 10.4881 9.18903 17.104 numMergedOcc 0
53 mol 280 unq 0 iso 0 dist 9.26066 12.5899 6.53701 8.13853 6.02353 4.90315 12.5331 5.51836 6.0664 6.86234 numMergedOcc 0
