REMARK Name = BDB009434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.395 0.331 0.842 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.220 1.112 1.980 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.786 1.993 2.066 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.094 0.989 3.055 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.163 0.092 2.982 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.378 -0.676 1.825 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.475 -0.557 0.757 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.423 -1.752 0.763 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 6.072 -0.740 0.149 0.00 0.00 +0.267 C ATOM 10 N LIG 1 4.720 -0.426 -0.015 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.726 -1.251 0.676 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.445 -0.472 1.006 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.851 0.171 -0.173 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.502 0.472 -0.317 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.004 0.831 -1.378 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.733 0.374 -1.323 0.00 0.00 +0.127 C ATOM 17 C LIG 1 4.196 0.607 -0.921 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 7.146 0.138 -0.408 0.00 0.00 +0.144 A ATOM 19 N LIG 1 6.868 1.436 -0.711 0.00 0.00 -0.247 NA ATOM 20 C LIG 1 7.913 2.163 -1.172 0.00 0.00 +0.131 A ATOM 21 C LIG 1 9.183 1.633 -1.327 0.00 0.00 +0.130 A ATOM 22 N LIG 1 9.471 0.348 -1.024 0.00 0.00 -0.259 NA ATOM 23 C LIG 1 8.427 -0.384 -0.553 0.00 0.00 +0.143 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -3.539 -1.646 1.776 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -4.243 -1.720 0.427 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -5.156 -0.596 0.019 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -5.317 0.539 0.809 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -4.494 0.767 1.365 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -5.968 1.724 0.255 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -7.172 1.296 -0.580 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -6.765 0.285 -1.660 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -5.804 -0.751 -1.146 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.571 -1.952 -1.979 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -6.147 -2.116 -3.050 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.667 -2.857 -1.490 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -4.495 -3.687 -2.049 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -4.014 -2.775 -0.298 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4