REMARK Name = BDB035683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.561 0.898 0.856 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.115 -0.171 0.257 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.290 -1.114 -0.395 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.542 0.004 0.551 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.605 -0.794 0.170 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.890 -0.413 0.577 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.057 0.763 1.350 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.963 1.564 1.731 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.700 1.156 1.312 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.366 1.786 1.545 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.252 0.517 0.073 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.849 0.304 0.129 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.962 1.144 0.822 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.504 2.251 1.484 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.874 2.505 1.450 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.729 1.652 0.754 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.210 -0.496 -0.749 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.082 -0.395 -2.311 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.361 0.468 -2.324 0.00 0.00 +0.127 C ATOM 20 C LIG 1 -6.724 -0.153 -0.960 0.00 0.00 +0.051 C BRANCH 17 23 ATOM 21 C LIG 1 -5.380 -1.619 2.274 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.149 -2.406 1.094 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.065 -1.980 -0.204 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.891 -3.029 -0.981 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -4.844 -4.149 -0.185 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -4.992 -3.757 1.058 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 -6.146 1.895 -2.342 0.00 0.00 -0.319 OA BRANCH 27 28 ATOM 28 C LIG 1 -7.301 2.683 -2.549 0.00 0.00 +0.483 C ATOM 29 F LIG 1 -8.236 2.330 -1.636 0.00 0.00 -0.178 F ATOM 30 F LIG 1 -6.970 3.971 -2.303 0.00 0.00 -0.178 F ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.144 2.816 2.544 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.759 3.931 1.863 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.391 2.802 3.680 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.424 3.038 2.945 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.098 -1.235 0.182 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 5.914 -0.497 -0.781 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.357 -0.329 -1.619 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.201 -1.155 -1.049 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.158 -0.948 0.159 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.232 -0.488 -0.850 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.081 -0.119 -1.811 0.00 0.00 +0.022 C ATOM 42 C LIG 1 7.103 -2.526 -1.690 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9