REMARK Name = BDB035598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.067 -0.029 -0.921 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.295 0.337 -1.482 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.569 1.121 -2.371 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.330 -0.442 -0.790 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.699 -0.427 -0.985 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.487 -1.277 -0.196 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.868 -2.100 0.775 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.471 -2.101 0.964 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.717 -1.255 0.156 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.238 -1.036 0.120 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.657 0.471 -0.988 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.373 -0.002 -0.649 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.213 0.477 -1.280 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.371 1.460 -2.263 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.636 1.948 -2.605 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.774 1.458 -1.973 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.902 -0.076 -0.298 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -5.504 -1.755 -2.865 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.236 -2.280 -1.554 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.970 -1.581 -0.402 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -4.755 -2.451 0.567 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.886 -3.717 0.051 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.172 -3.599 -1.223 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.991 0.377 1.181 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 -5.053 1.905 1.396 0.00 0.00 -0.010 C ATOM 26 C LIG 1 -6.330 2.564 0.871 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -7.374 2.311 1.952 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -6.596 2.151 3.258 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.120 2.255 2.886 0.00 0.00 +0.003 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.813 -2.981 1.993 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.061 -2.268 2.875 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.695 -3.697 2.743 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.972 -3.889 1.430 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.991 -1.280 -0.362 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.572 -0.117 0.303 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.338 -0.145 1.294 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 8.009 0.030 0.032 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.222 0.546 -1.419 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.162 1.620 -0.834 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.409 1.461 0.504 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.881 -1.097 0.553 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9