molecule.xyz

47
SMILES=C[N+]12CCCCC1C1CC(C2)C2CCCCN2C1
C 1.66019 -1.37884 -1.852542
N 1.465705 -0.755625 -0.495565
C 2.714981 -1.043204 0.341328
C 3.938436 -0.233678 -0.076844
C 3.626873 1.264761 -0.154269
C 2.462512 1.496145 -1.121957
C 1.187888 0.764978 -0.687185
C 0.490305 1.427258 0.536415
C 0.372462 0.521292 1.764689
C -0.412115 -0.720405 1.325502
C 0.250384 -1.442218 0.127954
C -1.847343 -0.267977 0.931466
C -2.769 -1.45882 0.624581
C -4.133518 -1.014553 0.090447
C -3.931149 -0.108163 -1.126989
C -3.050455 1.081391 -0.754584
N -1.74931 0.66766 -0.201992
C -0.936852 1.836796 0.126509
H 2.575321 -0.984162 -2.321832
H 0.78461 -1.142753 -2.482079
H 1.749457 -2.473154 -1.729902
H 2.450096 -0.831986 1.389686
H 2.887557 -2.133773 0.25611
H 4.332807 -0.592688 -1.051075
H 4.734802 -0.444746 0.665553
H 3.371901 1.653395 0.855661
H 4.521526 1.826278 -0.487214
H 2.201982 2.571389 -1.195583
H 2.758848 1.192827 -2.148191
H 0.45045 0.755372 -1.512983
H 1.053374 2.344687 0.801044
H -0.205321 1.051747 2.5486
H 1.350051 0.289089 2.227518
H -0.498644 -1.436276 2.166775
H 0.591667 -2.463586 0.38114
H -0.481421 -1.506802 -0.697767
H -2.27062 0.260962 1.828124
H -2.294685 -2.120885 -0.133463
H -2.875436 -2.062871 1.549466
H -4.683278 -0.458652 0.881752
H -4.753354 -1.897639 -0.164514
H -3.450279 -0.681472 -1.949819
H -4.899907 0.264529 -1.516469
H -3.597761 1.725042 -0.016505
H -2.850816 1.718805 -1.641138
H -1.387556 2.439251 0.957989
H -0.905166 2.501373 -0.76315