0 mol 34 unq 0 iso 0 dist 7.93454 10.6266 7.18022 12.5404 7.01952 4.55481 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.06898 10.6266 6.24711 12.5404 4.58552 4.55481 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.18572 13.7055 8.13108 5.4968 9.59729 13.5024 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.25047 6.4988 8.23026 11.5226 9.08825 6.46372 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 7.06277 4.4691 8.40422 12.0097 8.05579 10.6632 numMergedOcc 0
5 mol 89 unq 1 iso 0 dist 7.06277 5.38419 8.40425 12.0097 8.05579 9.32983 numMergedOcc 0
6 mol 89 unq 2 iso 0 dist 7.06277 6.529 7.47974 12.0097 8.05579 10.4274 numMergedOcc 0
7 mol 89 unq 3 iso 0 dist 7.06277 8.3977 5.51831 12.0097 8.05579 6.13636 numMergedOcc 0
8 mol 89 unq 4 iso 0 dist 7.06277 9.83986 9.65149 12.0097 8.05579 6.14929 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.61144 14.8146 9.36001 13.5622 9.99441 6.77937 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 5.46186 10.2851 9.22631 6.81453 7.23305 4.93402 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 11.6792 8.75345 13.086 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.0675 9.7565 9.3948 3.94084 8.75345 13.086 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 5.82551 9.34745 9.11586 9.97278 8.75345 16.9857 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 5.82551 9.34745 9.11586 13.7509 9.79643 7.63763 numMergedOcc 0
15 mol 105 unq 0 iso 0 dist 9.84347 8.40852 9.16718 9.34708 9.17843 4.4598 numMergedOcc 0
16 mol 105 unq 1 iso 0 dist 9.84347 4.7574 7.94633 9.34708 9.17843 8.50101 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 9.21978 10.3475 6.39384 3.85674 7.65564 6.95773 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 9.21978 6.86762 9.42082 3.85674 7.65564 6.01673 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 9.26505 10.0419 6.24825 3.82475 7.65564 6.63111 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.8564 12.0294 9.33094 16.6683 8.62504 8.06642 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.8564 14.9183 8.69531 16.6683 8.62504 4.00092 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 4.54218 10.5394 8.07097 6.90735 7.92216 13.2918 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 8.36316 11.2797 8.07097 13.0345 7.92216 13.2918 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 5.4647 6.96904 7.06025 3.93042 7.86352 10.8974 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 9.67667 9.73282 9.10817 8.58041 6.69042 9.61454 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 9.67667 4.74864 6.86828 8.58041 6.69042 7.59871 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 5.81317 5.69131 7.94911 6.49084 7.90657 4.72944 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.79662 13.3218 7.48954 5.03056 5.72 8.34852 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 12.6737 6.03081 9.72447 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 9.42801 15.4299 8.19317 8.47779 7.41433 12.983 numMergedOcc 0
31 mol 235 unq 2 iso 0 dist 9.42801 10.8094 5.1823 12.6737 6.03081 4.21867 numMergedOcc 0
32 mol 235 unq 3 iso 0 dist 9.42801 10.8094 5.1823 8.47779 7.41433 5.88852 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 8.8602 9.51148 8.69318 3.98086 8.30024 10.2068 numMergedOcc 0
34 mol 243 unq 1 iso 0 dist 8.8602 9.51148 8.69318 4.02386 8.20943 5.74165 numMergedOcc 0
35 mol 243 unq 2 iso 0 dist 7.13476 11.3833 8.69318 4.03312 8.30024 10.2068 numMergedOcc 0
36 mol 243 unq 3 iso 0 dist 7.13476 11.3833 8.69318 9.0802 8.20943 5.74165 numMergedOcc 0
37 mol 243 unq 4 iso 0 dist 9.49016 6.50608 8.69318 12.1329 8.30024 10.2068 numMergedOcc 0
38 mol 243 unq 5 iso 0 dist 9.49016 6.50608 8.69318 6.41173 8.20943 5.74165 numMergedOcc 0
39 mol 251 unq 0 iso 0 dist 8.99048 6.30024 9.82601 15.6828 9.02417 13.28 numMergedOcc 0
40 mol 251 unq 1 iso 0 dist 8.99048 4.34197 6.50357 15.6828 9.02417 11.5298 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 6.66615 5.2836 5.90924 10.1533 9.78237 5.71153 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 6.66615 5.2836 5.90924 9.72258 9.70101 5.70542 numMergedOcc 0
43 mol 264 unq 2 iso 0 dist 6.66615 5.2836 5.90924 12.1475 9.95798 6.87635 numMergedOcc 0
44 mol 264 unq 3 iso 0 dist 6.66615 4.53426 5.90058 10.1533 9.78237 12.6872 numMergedOcc 0
45 mol 264 unq 4 iso 0 dist 6.66615 4.53426 5.90058 9.72258 9.70101 9.63145 numMergedOcc 0
46 mol 264 unq 5 iso 0 dist 6.66615 4.53426 5.90058 12.1475 9.95798 12.9337 numMergedOcc 0
47 mol 264 unq 6 iso 0 dist 6.66615 13.628 9.58916 10.1533 9.78237 6.56539 numMergedOcc 0
48 mol 264 unq 7 iso 0 dist 6.66615 13.628 9.58916 9.72258 9.70101 10.1301 numMergedOcc 0
49 mol 264 unq 8 iso 0 dist 6.66615 13.628 9.58916 12.1475 9.95798 4.76241 numMergedOcc 0
50 mol 273 unq 0 iso 0 dist 7.05843 6.95085 6.31969 5.74227 9.02537 10.2693 numMergedOcc 0
51 mol 292 unq 0 iso 0 dist 9.65996 6.39438 9.74118 6.49965 6.22943 5.94 numMergedOcc 0
52 mol 292 unq 1 iso 0 dist 9.65996 6.39438 9.74118 12.2613 9.31056 9.18492 numMergedOcc 0
53 mol 292 unq 2 iso 0 dist 9.13412 14.0055 9.46442 6.49965 9.23612 17.5073 numMergedOcc 0
