REMARK Name = BDB042164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.206 -0.686 1.942 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.764 -0.317 -0.513 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.472 0.792 0.260 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.182 1.743 0.517 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.114 0.605 0.779 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.663 -0.647 0.366 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.401 -1.089 0.726 0.00 0.00 +0.013 A ATOM 8 C LIG 1 1.586 -0.241 1.502 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.085 1.014 1.912 0.00 0.00 +0.129 A ATOM 10 F LIG 1 1.324 1.815 2.672 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.355 1.456 1.554 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.721 -1.331 -0.432 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 10.360 1.814 -0.344 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.371 1.126 -0.587 0.00 0.00 +0.219 C ATOM 15 N LIG 1 9.153 -0.042 0.095 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.811 -0.238 0.835 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.089 -0.901 -0.003 0.00 0.00 +0.240 C ATOM 18 O LIG 1 7.957 -1.829 0.797 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.064 -0.622 -1.101 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.556 0.361 -2.161 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.345 1.536 -1.613 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.575 -1.253 0.840 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 -1.817 -1.945 1.287 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -2.833 -1.044 2.041 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.232 -0.061 1.012 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -2.591 -0.558 -0.230 0.00 0.00 +0.073 C ATOM 27 C LIG 1 -2.531 -2.069 -0.050 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -1.082 -0.212 -0.098 0.00 0.00 +0.104 C BRANCH 25 29 ATOM 29 C LIG 1 -4.665 0.293 0.979 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.936 1.691 0.380 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.261 2.132 0.187 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.536 3.405 -0.319 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.494 4.275 -0.623 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.178 3.876 -0.411 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.903 2.602 0.095 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.588 -0.803 0.428 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -5.792 -0.979 -0.953 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.635 -1.984 -1.431 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.291 -2.828 -0.538 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.108 -2.666 0.833 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.266 -1.661 1.313 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6