REMARK Name = BDB007009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.429 -0.176 0.021 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.257 -1.147 -0.528 0.00 0.00 -0.268 N ATOM 3 C LIG 1 -2.615 -1.336 -0.213 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -3.166 -2.362 -0.972 0.00 0.00 +0.070 A ATOM 5 N LIG 1 -4.445 -2.780 -0.898 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 -5.212 -2.120 0.001 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -4.760 -1.074 0.814 0.00 0.00 -0.023 A ATOM 8 C LIG 1 -2.155 -2.936 -1.940 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.549 -2.611 -3.383 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -1.992 -4.445 -1.748 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -3.420 -0.675 0.696 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -0.875 -2.170 -1.521 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.822 0.672 0.825 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 1.037 -0.199 -0.471 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 2.302 -2.890 1.319 0.00 0.00 +0.025 C ATOM 16 C LIG 1 2.957 -1.618 1.863 0.00 0.00 +0.065 C ATOM 17 N LIG 1 4.282 -1.424 1.244 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 4.823 -0.800 1.845 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 4.168 -0.763 -0.069 0.00 0.00 +0.101 C ATOM 20 C LIG 1 3.340 0.552 -0.071 0.00 0.00 +0.085 C ATOM 21 N LIG 1 1.981 0.377 0.510 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 2.035 -0.366 1.787 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 4.077 1.720 0.659 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 5.394 2.062 0.097 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 6.097 3.060 0.924 0.00 0.00 +0.121 C ATOM 26 C LIG 1 7.044 3.785 -0.032 0.00 0.00 +0.181 C ATOM 27 F LIG 1 6.749 5.115 -0.022 0.00 0.00 -0.244 F ATOM 28 C LIG 1 6.724 3.227 -1.406 0.00 0.00 +0.053 C ATOM 29 C LIG 1 5.322 2.667 -1.237 0.00 0.00 +0.087 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 -5.694 -0.384 1.774 0.00 0.00 +0.074 C BRANCH 30 31 ATOM 31 C LIG 1 -6.152 0.972 1.296 0.00 0.00 -0.008 A ATOM 32 C LIG 1 -5.608 2.140 1.847 0.00 0.00 +0.130 A ATOM 33 F LIG 1 -4.692 2.053 2.821 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.000 3.400 1.411 0.00 0.00 +0.077 A ATOM 35 C LIG 1 -6.950 3.495 0.406 0.00 0.00 +0.126 A ATOM 36 F LIG 1 -7.338 4.704 -0.024 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -7.509 2.356 -0.165 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -7.111 1.093 0.277 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6