42   
3a   
B 0.00000 0.00000 0.00000
H 0.56243 0.91857 0.21036
B -0.20529 -0.63647 -1.62192
H 0.17417 -0.23801 -2.57623
B 0.81705 -1.48275 -0.48421
H 1.88930 -1.60359 -0.66081
B 0.06657 -1.40900 1.11061
H 0.71605 -1.38687 2.00869
B -1.43055 -0.45316 0.94368
H -1.81733 0.15017 1.76668
B -1.62297 0.01041 -0.77267
H -2.05644 0.89625 -1.08825
C -0.33296 -2.32532 -1.42510
B -0.17267 -2.88319 0.12820
H 0.37147 -3.77900 0.32753
B -1.53770 -2.19122 1.20478
H -1.84321 -2.60205 2.19031
B -2.64325 -1.26311 -0.03198
H -3.72095 -1.04325 0.11297
B -1.77826 -1.54065 -1.64217
H -2.24463 -1.64902 -2.61402
H -2.57998 -2.17949 -0.80375
H -1.41228 -3.11819 0.42752
N 0.12045 -3.12009 -2.65205
H -0.27060 -2.73036 -3.33408
C 1.59106 -2.98762 -2.93477
H 2.08937 -3.38233 -2.22711
H 1.71158 -3.45174 -3.76773
H 1.80009 -2.02580 -3.01802
C -0.38323 -4.60872 -2.78009
C -1.84850 -4.66620 -2.36933
H -2.39145 -4.07526 -2.93931
H -1.92306 -4.44752 -1.40523
H -2.14146 -5.59410 -2.48341
C 0.46323 -5.55446 -1.94034
H 1.39206 -5.49816 -2.18634
H 0.14067 -6.41058 -2.12984
H 0.35771 -5.40602 -0.96877
C -0.26063 -4.98196 -4.26255
H 0.65690 -5.06946 -4.59533
H -0.79328 -4.35934 -4.80903
H -0.66243 -5.88225 -4.35627
