adjusted_molecule.xyz

59

C	-0.826007	-0.450679	-0.542885
C	0.177470	-1.304942	-0.056164
C	-0.402142	0.721848	-1.184891
C	1.508450	-1.007112	-0.211025
H	-0.128248	-2.226385	0.428075
N	-2.152286	-0.774643	-0.440506
C	0.921607	1.054877	-1.348009
O	-1.333678	1.577673	-1.701850
C	1.927724	0.188115	-0.867066
H	2.243704	-1.716074	0.142888
C	-3.030261	0.025187	-0.961686
H	1.151301	1.979543	-1.857393
C	-2.651963	1.268623	-1.625507
N	3.243503	0.483479	-1.036420
C	-4.457514	-0.307434	-0.928916
C	-3.541985	2.115445	-2.187633
C	3.673902	1.570502	-1.910090
C	4.307257	-0.311498	-0.432236
C	-5.390878	0.558611	-1.520699
C	-4.903409	-1.490981	-0.330482
C	-4.960940	1.823661	-2.179142
H	-3.205181	3.020685	-2.678151
C	3.779417	2.909842	-1.187342
H	3.000332	1.626904	-2.768310
H	4.649174	1.289405	-2.316457
C	4.776499	-1.462704	-1.316289
H	3.975959	-0.676000	0.542755
H	5.139237	0.369549	-0.228956
C	-6.747997	0.232013	-1.504893
C	-6.252143	-1.802819	-0.320659
H	-4.175567	-2.155468	0.120109
O	-5.781270	2.577914	-2.705146
H	4.125497	3.687654	-1.874632
H	4.490975	2.844938	-0.358417
H	2.813186	3.218120	-0.778118
H	3.951684	-2.135936	-1.559937
H	5.565315	-2.028822	-0.811346
H	5.174790	-1.084218	-2.261924
C	-7.180676	-0.940259	-0.909226
H	-7.444726	0.919249	-1.971417
H	-6.587345	-2.723566	0.145976
H	-8.236710	-1.189666	-0.900092
N	-2.744254	-1.616838	1.395700
C	-1.372971	-1.311544	1.622545
O	-3.580648	-0.768216	1.699373
O	-3.033818	-2.712773	0.913205
C	-0.389398	-2.206996	1.260893
C	-0.959675	-0.073994	2.199006
C	0.983057	-1.979234	1.442058
H	-0.705616	-3.136872	0.804698
C	0.440211	0.156182	2.380515
N	-1.602591	0.995321	2.611725
C	1.454911	-0.803207	2.010312
H	1.689698	-2.733723	1.118505
N	0.614018	1.346950	2.890670
O	-0.622134	1.853699	3.031669
N	2.744310	-0.512738	2.211219
H	3.024633	0.377581	2.595849
H	3.472940	-1.151763	1.927379