61
original without propyl.gpr
Ir         0.25564       -0.55785        0.31764
N         -0.83368       -0.06083        2.08554
C         -2.10228        0.12927        2.56630
N         -2.13214        0.33641        3.86330
N         -0.80534        0.24726        4.24390
C         -0.03516        0.00603        3.18070
C          1.40060       -0.13687        2.99620
C          2.35714        0.01259        3.99990
C          3.72254       -0.09360        3.68760
C          4.08385       -0.32959        2.38620
C          3.13112       -0.45938        1.36804
C          1.75621       -0.37941        1.63093
C         -0.45353        0.41376        5.64840
N          0.71695        1.43375       -0.39667
C          0.48399        2.76575       -0.13669
N          1.12238        3.56286       -0.96894
N          1.81592        2.68840       -1.78521
C          1.57156        1.43112       -1.43517
C          2.02054        0.14894       -1.95660
C          2.92193       -0.01101       -3.03140
C          3.29466       -1.28008       -3.42792
C          2.77360       -2.39184       -2.77287
C          1.87411       -2.22796       -1.71694
C          1.48427       -0.96675       -1.26088
C          2.66521        3.25083       -2.83532
N         -1.41406       -0.94970       -0.98056
C         -2.20117       -0.35843       -1.92900
N         -3.16056       -1.16996       -2.37635
N         -2.95537       -2.32891       -1.66901
C         -1.89481       -2.19125       -0.85129
C         -1.23246       -3.10373        0.07392
C         -1.61469       -4.43049        0.29178
C         -0.89092       -5.21842        1.17922
C          0.20007       -4.67434        1.83282
C          0.56386       -3.34234        1.63238
C         -0.12644       -2.49934        0.73187
C         -3.83470       -3.46164       -1.89850
H          2.07189        0.19613        4.93960
H          4.41665        0.00079        4.40070
H          5.05370       -0.41219        2.15817
H          3.43919       -0.61408        0.42976
H         -1.28266        0.58420        6.18290
H          0.17212        1.18858        5.74710
H         -0.00854       -0.41743        5.98100
H          3.28896        0.79003       -3.50344
H          3.93933       -1.39939       -4.18319
H          3.04174       -3.31087       -3.06045
H          1.49568       -3.04080       -1.27250
H          2.60816        4.24853       -2.81208
H          3.61224        2.96634       -2.68572
H          2.35524        2.92045       -3.72712
H         -2.40464       -4.81200       -0.18898
H         -1.15525       -6.16892        1.34335
H          0.73501       -5.24333        2.45737
H          1.33974       -2.97132        2.14219
H         -4.52501       -3.21386       -2.57824
H         -4.28540       -3.71205       -1.04156
H         -3.29843       -4.23646       -2.23256
H         -0.16393        3.12479        0.67651
H         -3.00145        0.11046        1.93295
H         -2.05902        0.67292       -2.28412
