Cr_ens_iso2.mol 37 39 0 0 0 -2.0944 0.8800 -0.4266 N 0 3 0 0 0 -0.2247 0.3884 0.3432 Cr 0 0 0 0 0 1.6224 -0.0970 1.1716 N 0 3 0 0 0 -0.1665 -1.2872 -0.8896 N 0 3 0 0 0 -1.2297 -0.6673 1.8291 N 0 3 0 0 0 -3.0329 -0.0353 0.2537 C 0 0 0 0 0 0.6543 0.5287 -2.3571 C 0 0 0 0 0 -2.6321 -0.2136 1.7300 C 0 0 0 0 0 0.8275 -0.9395 -1.9261 C 0 0 0 0 0 0.7365 1.4244 -1.1851 N 0 3 0 0 0 -0.2165 2.0764 1.5600 N 0 3 0 0 0 1.7650 0.8096 2.3288 C 0 0 0 0 0 1.1887 2.1995 1.9995 C 0 0 0 0 0 -2.1203 0.7361 -1.4280 H 0 0 0 0 0 -2.3047 1.8450 -0.2067 H 0 0 0 0 0 2.3559 0.0590 0.4937 H 0 0 0 0 0 1.6304 -1.0628 1.4716 H 0 0 0 0 0 -1.0770 -1.4424 -1.3021 H 0 0 0 0 0 0.1283 -2.1033 -0.3700 H 0 0 0 0 0 -1.1555 -1.6590 1.6441 H 0 0 0 0 0 -0.8496 -0.4523 2.7415 H 0 0 0 0 0 -3.0173 -1.0167 -0.2351 H 0 0 0 0 0 -4.0491 0.3717 0.1947 H 0 0 0 0 0 1.4341 0.7959 -3.0778 H 0 0 0 0 0 -0.3256 0.6387 -2.8373 H 0 0 0 0 0 -2.7497 0.7482 2.2437 H 0 0 0 0 0 -3.2890 -0.9502 2.2029 H 0 0 0 0 0 0.6963 -1.5956 -2.7933 H 0 0 0 0 0 1.8419 -1.0742 -1.5295 H 0 0 0 0 0 1.6990 1.6018 -0.9282 H 0 0 0 0 0 0.2629 2.2994 -1.3700 H 0 0 0 0 0 -0.5005 2.8944 1.0370 H 0 0 0 0 0 -0.8307 1.9331 2.3500 H 0 0 0 0 0 2.8236 0.9029 2.5933 H 0 0 0 0 0 1.2205 0.4005 3.1892 H 0 0 0 0 0 1.2389 2.8382 2.8878 H 0 0 0 0 0 1.7912 2.6524 1.2027 H 0 0 0 0 0 1 2 1 0 0 0 1 6 1 1 0 0 1 14 1 6 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 4 1 6 0 0 2 5 1 1 0 0 2 10 1 6 0 0 2 11 1 1 0 0 3 12 1 1 0 0 3 16 1 6 0 0 3 17 1 0 0 0 4 9 1 6 0 0 4 18 1 0 0 0 4 19 1 1 0 0 5 8 1 0 0 0 5 20 1 0 0 0 5 21 1 1 0 0 6 8 1 1 0 0 6 22 1 0 0 0 6 23 1 0 0 0 7 9 1 0 0 0 7 10 1 1 0 0 7 24 1 6 0 0 7 25 1 0 0 0 8 26 1 1 0 0 8 27 1 0 0 0 9 28 1 6 0 0 9 29 1 0 0 0 10 30 1 0 0 0 10 31 1 0 0 0 11 13 1 0 0 0 11 32 1 6 0 0 11 33 1 1 0 0 12 13 1 0 0 0 12 34 1 0 0 0 12 35 1 1 0 0 13 36 1 1 0 0 13 37 1 6 0 0