 40 
 
   C   -2.041383400   -0.220475900   -1.012296000 
   C   -3.237927400   -0.239955300   -0.304004400 
   C   -3.930048400   -1.430852400   -0.113627900 
   C   -3.446808400   -2.635478200   -0.621723300 
   C   -2.244708700   -2.609745600   -1.332716600 
   C   -1.553020600   -1.422965800   -1.523703000 
   C   -4.178010100   -3.930015600   -0.385693200 
   C   -1.288074200    1.083176000   -1.225577300 
   N    0.069002100    1.005927900   -0.668548400 
   C   -1.218422100    1.455486500   -2.683539400 
   C   -1.715595800    2.574113300   -3.191403100 
   C    0.359987000    1.417449200    0.589908000 
   O   -0.441530300    1.970417500    1.324207300 
   C    1.767700100    1.152202400    1.063070200 
   C    2.292777000    2.004249300    2.033691900 
   C    3.563860600    1.765860700    2.526674600 
   C    4.334942300    0.692275800    2.109560600 
   C    3.784042400   -0.143425200    1.155726600 
   C    2.519246500    0.067061100    0.624923000 
   N    4.568323700   -1.310662700    0.689449400 
   O    5.663877300   -1.489430700    1.190730700 
   O    4.064745900   -2.015904200   -0.170581300 
   N    4.127622900    2.685359900    3.546113500 
   O    5.226441400    2.412300700    3.998549400 
   O    3.456016400    3.651675800    3.861001900 
   H   -3.628590300    0.680643000    0.111513700 
   H   -4.858975100   -1.422397900    0.443614300 
   H   -1.847212900   -3.530350100   -1.742927300 
   H   -0.621942500   -1.439482100   -2.078442700 
   H   -5.244373700   -3.763743800   -0.232857000 
   H   -4.057033000   -4.614840700   -1.225562600 
   H   -3.794992800   -4.436166100    0.504306000 
   H   -1.791984300    1.873977200   -0.673121000 
   H    0.797354100    0.632802200   -1.251879800 
   H   -0.749943900    0.726017600   -3.339314000 
   H   -1.659881800    2.788294600   -4.250298300 
   H   -2.202873100    3.313052400   -2.566497400 
   H    1.703733500    2.831099300    2.399880800 
   H    5.317546400    0.514127800    2.514786500 
   H    2.136113600   -0.641677600   -0.093394300 
