52

C          0.23160        0.31900        0.98650
S         -0.86210        1.67160        1.50120
C         -2.47980        0.98620        1.36720
C         -2.64480       -0.32480        0.93380
C         -3.90940       -0.86460        0.83380
C         -5.02370       -0.09170        1.15640
C         -4.85670        1.22410        1.58530
C         -3.59020        1.75870        1.68950
C         -6.38600       -0.66910        1.04410
C         -6.78510       -1.70290        1.91470
C         -8.03020       -2.23630        1.77330
C         -8.88530       -1.72910        0.78380
O         -9.97550       -2.24820        0.60570
N         -8.51650       -0.66980        0.02370
C         -7.25080       -0.19940        0.09010
C         -6.71690        0.80690       -0.90210
H         -5.95540        1.42930       -0.43210
C         -7.86370        1.67890       -1.42020
C         -8.96930        0.76230       -1.94500
H         -9.76150        1.38760       -2.35660
C         -9.55310       -0.04990       -0.80290
C         -8.43800       -0.12710       -3.06120
N         -7.21130       -0.79240       -2.65730
C         -6.12830        0.02670       -2.09010
C         -7.06640       -2.12520       -2.79560
O         -7.96740       -2.78770       -3.26470
C         -5.78460       -2.79220       -2.36750
C         -5.88010       -4.29650       -2.63010
C         -4.59830       -4.96350       -2.20200
O         -3.70060       -4.30340       -1.73470
H          0.09090       -0.53440        1.64980
H          1.26850        0.65110        1.03660
H         -0.00750        0.02750       -0.03630
H         -1.78150       -0.92190        0.67970
H         -4.03690       -1.88430        0.50130
H         -5.71890        1.82450        1.83530
H         -3.46040        2.77800        2.02200
H         -6.11700       -2.06300        2.68320
H         -8.35400       -3.04380        2.41310
H         -7.50310        2.31710       -2.22690
H         -8.25310        2.29640       -0.61080
H        -10.19090       -0.83180       -1.21510
H        -10.15930        0.60510       -0.17720
H         -9.18100       -0.88740       -3.30190
H         -8.24560        0.47980       -3.94600
H         -5.75660        0.72220       -2.84260
H         -5.31820       -0.61650       -1.74630
H         -4.95170       -2.37650       -2.93450
H         -5.62250       -2.61870       -1.30360
H         -6.71300       -4.71220       -2.06310
H         -6.04220       -4.47000       -3.69400
O         -4.45400       -6.29080       -2.33970