REMARK Name = BDB058615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.295 -0.578 -1.323 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.311 -1.761 -2.055 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.694 -2.075 -2.886 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.381 -2.644 -1.944 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.454 -2.334 -1.104 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.465 -1.133 -0.377 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.382 -0.250 -0.502 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 N LIG 1 -5.490 0.883 -0.094 0.00 0.00 -0.298 NA ATOM 9 C LIG 1 -4.450 0.086 -0.759 0.00 0.00 +0.079 C ATOM 10 C LIG 1 -3.876 -1.067 0.089 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -2.507 -1.310 -0.554 0.00 0.00 +0.113 C ATOM 12 N LIG 1 -2.091 -0.025 -1.093 0.00 0.00 -0.296 N ATOM 13 C LIG 1 -0.817 0.383 -1.434 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.551 1.533 -1.774 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -3.791 -0.744 1.588 0.00 0.00 +0.008 C ATOM 16 C LIG 1 -3.847 0.749 1.866 0.00 0.00 +0.016 C ATOM 17 C LIG 1 -3.214 0.888 -1.222 0.00 0.00 +0.127 C ATOM 18 C LIG 1 -5.081 1.400 1.226 0.00 0.00 +0.085 C BRANCH 8 20 ATOM 19 C LIG 1 -7.953 1.113 0.146 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -6.772 0.163 -0.042 0.00 0.00 +0.081 C ENDBRANCH 8 20 ENDBRANCH 1 13 BRANCH 6 21 ATOM 21 C LIG 1 3.645 -0.780 0.502 0.00 0.00 +0.093 C BRANCH 21 22 ATOM 22 C LIG 1 4.840 -0.167 -0.222 0.00 0.00 +0.074 A ATOM 23 C LIG 1 5.989 0.308 0.595 0.00 0.00 +0.011 A ATOM 24 C LIG 1 7.069 0.870 -0.084 0.00 0.00 +0.050 A ATOM 25 C LIG 1 8.185 1.341 0.618 0.00 0.00 +0.014 A ATOM 26 C LIG 1 8.221 1.246 2.008 0.00 0.00 +0.001 A ATOM 27 C LIG 1 7.146 0.681 2.693 0.00 0.00 +0.001 A ATOM 28 C LIG 1 7.027 0.959 -1.551 0.00 0.00 +0.272 A ATOM 29 O LIG 1 7.954 1.447 -2.188 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 5.900 0.459 -2.153 0.00 0.00 -0.242 N ATOM 31 H LIG 1 5.844 0.519 -3.165 0.00 0.00 +0.192 HD ATOM 32 C LIG 1 6.031 0.210 1.992 0.00 0.00 +0.010 A ATOM 33 N LIG 1 4.830 -0.090 -1.520 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 4