 46 
 
   C   -1.583007640   -1.193083827    0.575072778 
   C   -0.822161545   -1.596534005    1.709601006 
   C   -1.344940907   -1.412102811    3.005753931 
   C   -2.610159995   -0.865906633    3.215401256 
   C   -3.357193694   -0.466401411    2.109905776 
   C   -2.870150567   -0.625388610    0.799307361 
   C   -3.129989737   -0.652958968    4.605779901 
   O   -0.895998096    1.241893345   -2.051061134 
   C    0.560884881   -2.190205153    1.625144742 
   C   -1.065190216   -1.342310897   -0.864698341 
   N    0.140596586   -0.560936930   -1.063527566 
   C   -0.841931712   -2.783814144   -1.269588451 
   C    0.130898400   -3.282528123   -2.048945097 
   C    0.102490006    0.710368243   -1.583010524 
   C    1.386667222    1.458465321   -1.593152610 
   C   -3.761004685   -0.159167872   -0.326502655 
   C    1.612359781    2.375423964   -2.629375098 
   C    2.803219985    3.113805727   -2.657369096 
   C    3.771318765    2.953656449   -1.656970389 
   C    3.524776289    2.044565207   -0.620037005 
   C    2.336702208    1.299508880   -0.577362725 
   N    3.041445154    4.064640147   -3.751443763 
   O    4.030249775    4.803933610   -3.659380157 
   O    2.246286698    4.061685545   -4.699614712 
   N    4.523449930    1.864604638    0.441561766 
   O    4.362918078    0.914495735    1.219628707 
   O    5.464778287    2.666300742    0.485532501 
   H   -0.751275144   -1.702869829    3.871818736 
   H   -4.337438199   -0.019159701    2.269191489 
   H   -2.745454422   -1.418084663    5.288417974 
   H   -2.826610641    0.332689218    4.971874405 
   H   -4.222907775   -0.718333311    4.629149689 
   H    0.870938500   -2.615155739    2.586934426 
   H    0.607375730   -3.011710482    0.908866649 
   H    1.291280524   -1.420182813    1.364816550 
   H   -1.811427692   -0.967267696   -1.569757849 
   H    1.001869738   -0.967452252   -0.739106345 
   H   -1.585729151   -3.482462553   -0.886050712 
   H    0.165763269   -4.345235068   -2.271620794 
   H    0.891086918   -2.656569033   -2.503391550 
   H   -3.979119985   -0.986478386   -1.009262392 
   H   -4.724088195    0.207887581    0.045123331 
   H   -3.290390047    0.665044599   -0.869948464 
   H    0.853166998    2.504531566   -3.401819755 
   H    4.696937358    3.528086756   -1.683153664 
   H    2.138707306    0.630723725    0.257265514 
