0 mol 4 unq 0 iso 0 dist 9.12428 5.12621 8.24634 10.1887 6.29581 7.35416 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.12428 14.8379 9.16617 10.1887 6.29581 6.42755 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 8.3794 9.75966 6.03257 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 6.60595 7.11548 6.42748 8.37378 10.1154 6.03257 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 8.58312 4.47542 9.78331 7.8304 5.67637 7.25951 numMergedOcc 0
5 mol 17 unq 1 iso 0 dist 8.58312 4.47542 9.78331 5.74567 4.03817 7.92012 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 11.0283 4.64838 9.95212 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.0319 10.6504 7.33768 13.1713 6.66749 8.00171 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.0319 15.919 9.01567 13.1713 6.66749 4.2121 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 8.0319 15.2997 7.29868 13.1713 6.66749 6.72323 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 6.12361 6.76331 6.46104 5.56687 7.23703 6.93197 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 7.23812 14.7042 9.24757 13.0322 6.29906 8.87464 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 7.03536 11.1037 9.30539 11.2586 4.57085 8.66165 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1456 10.6848 9.5057 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.22737 10.6748 8.30845 17.1976 15.3454 9.5057 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 8.59695 7.72162 9.36851 6.52844 4.55551 9.73158 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.59695 7.95267 4.97175 6.52844 4.55551 7.59327 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 6.42706 13.0193 9.36851 9.51709 4.55551 9.73158 numMergedOcc 0
18 mol 129 unq 3 iso 0 dist 6.42706 8.03693 4.97175 9.51709 4.55551 7.59327 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.97762 11.4871 6.16242 11.0921 12.131 8.95662 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.86784 12.3839 7.80532 11.6726 5.71679 6.40575 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 8.50926 5.6621 9.00416 8.75305 10.8404 8.21184 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 8.50926 5.6621 9.00416 5.13522 5.18356 5.9976 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 7.73971 8.94436 9.61462 11.6947 11.5561 5.25109 numMergedOcc 0
24 mol 171 unq 1 iso 0 dist 7.73971 8.94436 9.61462 12.2237 10.844 8.21618 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 9.30975 4.66376 8.80683 6.45143 7.92585 5.70795 numMergedOcc 0
26 mol 226 unq 1 iso 0 dist 9.14028 4.66376 6.11704 6.45143 7.554 5.70795 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 8.6771 9.81372 8.69104 12.8585 8.1195 5.92374 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 9.21656 4.89551 5.50492 11.4714 7.6169 7.95359 numMergedOcc 0
29 mol 244 unq 1 iso 0 dist 9.21656 4.89551 5.50492 10.2667 5.17744 6.22122 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 6.26142 9.55793 5.48118 13.5563 9.0676 5.9627 numMergedOcc 0
31 mol 271 unq 0 iso 0 dist 9.42899 11.0964 9.70714 14.4126 8.66946 5.92274 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.37841 4.73332 8.49177 9.65597 4.60101 7.16346 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 8.41236 11.7852 7.46394 15.2385 11.1602 7.75216 numMergedOcc 0
