0 mol 36 unq 0 iso 0 dist 4.10339 7.11464 6.94144 8.79119 8.9566 11.8892 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 5.75102 5.70431 6.06105 6.48383 8.80254 10.0443 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 5.85076 8.98051 7.22511 6.29584 9.94012 10.0477 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 6.79597 9.13301 8.85132 5.88837 7.17224 7.55095 numMergedOcc 0
4 mol 124 unq 1 iso 0 dist 7.17224 7.55095 8.85132 5.88837 6.79597 9.13301 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 6.72591 9.92375 9.82423 8.87503 5.86949 10.7238 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 6.45502 9.58371 5.97811 7.26245 8.66056 7.13199 numMergedOcc 0
7 mol 158 unq 1 iso 0 dist 8.66056 7.13199 5.97811 7.26245 6.45502 9.58371 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 3.87901 8.67001 7.1886 4.62884 5.04534 11.7618 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 9.39563 5.11863 8.78943 17.1241 9.0757 14.0296 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 9.39563 5.11863 8.78943 6.72547 7.51045 5.92785 numMergedOcc 0
11 mol 184 unq 2 iso 0 dist 7.51045 5.92785 8.78943 13.3933 9.0757 14.0296 numMergedOcc 0
12 mol 184 unq 3 iso 0 dist 7.51045 5.92785 8.78943 6.72547 9.39563 5.11863 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.42784 7.88169 6.23427 5.89206 6.11123 9.46179 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.11123 9.46179 6.23427 5.89206 7.42784 7.88169 numMergedOcc 0
15 mol 247 unq 0 iso 0 dist 6.56182 6.76933 12.7218 6.02423 6.77886 11.8043 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 9.73281 9.00866 8.60531 5.457 9.26382 10.2216 numMergedOcc 0
