 40 
 
   C   -2.229478654    0.066465810   -0.898076823 
   C   -2.158629051   -1.198289250   -1.500302186 
   C   -2.997801821   -2.238017903   -1.090163894 
   C   -3.932565419   -2.036416854   -0.070373274 
   C   -3.993208491   -0.787241558    0.554425910 
   C   -3.152295580    0.251935136    0.145293694 
   C   -4.807681348   -3.163161026    0.391591117 
   C   -1.319351606    1.211134868   -1.313112963 
   N   -0.083083476    1.240211530   -0.546883639 
   C   -1.111006649    1.373237836   -2.800139917 
   C    0.018263342    1.662101273   -3.464574292 
   C    0.882745551    0.260730467   -0.572150586 
   O    0.898078174   -0.711750468   -1.314032069 
   C    2.018856748    0.445627895    0.369731444 
   C    1.837179651    1.026596416    1.630841045 
   C    2.934593572    1.155943760    2.495628141 
   C    4.207107071    0.704668202    2.121588032 
   C    4.368980889    0.111850002    0.862258976 
   C    3.283243546   -0.023795647   -0.013037235 
   N    5.694575454   -0.369742356    0.452823628 
   O    6.580626164   -0.403976031    1.316822313 
   O    5.846171235   -0.700476629   -0.729955286 
   N    2.741881467    1.775611240    3.813127164 
   O    3.677474900    1.710939451    4.620109003 
   O    1.656526555    2.332165992    4.027624756 
   H   -1.429535913   -1.390703068   -2.286338439 
   H   -2.907788574   -3.209311199   -1.571546938 
   H   -4.695655400   -0.614876867    1.366820722 
   H   -3.224201470    1.211613333    0.652124249 
   H   -5.035182198   -3.845033311   -0.434566680 
   H   -4.306849018   -3.724498747    1.186324292 
   H   -5.762371092   -2.785316561    0.772420017 
   H   -1.840476603    2.134171440   -1.019399247 
   H    0.068737214    2.077535345   -0.007371280 
   H   -2.014963234    1.245192931   -3.395627984 
   H    0.014613425    1.743568382   -4.547372262 
   H    0.968370836    1.805235602   -2.963174801 
   H    0.845341828    1.341520840    1.949586819 
   H    5.054673069    0.809436693    2.798424546 
   H    3.404084907   -0.494886968   -0.989366073 
