REMARK Name = BDB038558 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.160 2.201 -0.658 0.00 0.00 +0.121 A ATOM 2 N LIG 1 1.360 1.634 -0.439 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.430 0.302 -0.211 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.292 -0.492 -0.194 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.966 0.087 -0.405 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.015 1.464 -0.641 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.714 -0.228 0.014 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.055 -1.541 0.302 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.362 -2.532 0.438 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.517 -1.571 0.444 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.337 -2.648 0.726 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.708 -2.408 0.808 0.00 0.00 +0.001 A ATOM 13 C LIG 1 7.222 -1.112 0.609 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.375 -0.024 0.322 0.00 0.00 +0.060 A ATOM 15 C LIG 1 5.010 -0.284 0.244 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.873 0.649 -0.038 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.915 1.365 0.108 0.00 0.00 +0.418 C ATOM 18 F LIG 1 6.418 2.254 1.011 0.00 0.00 -0.166 F ATOM 19 F LIG 1 8.270 1.447 0.205 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.594 1.859 -1.118 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -2.192 -0.740 -0.380 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -3.293 -0.477 0.470 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -4.441 -1.291 0.404 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -4.508 -2.379 -0.474 0.00 0.00 +0.060 A ATOM 25 C LIG 1 -3.419 -2.653 -1.302 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -2.281 -1.841 -1.256 0.00 0.00 +0.010 A BRANCH 22 27 ATOM 27 C LIG 1 -3.319 0.633 1.421 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -2.518 0.787 2.525 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -1.516 -0.109 3.038 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -2.881 1.967 3.100 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -3.865 2.503 2.419 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -4.149 1.659 1.372 0.00 0.00 -0.129 NA ENDBRANCH 22 27 BRANCH 24 33 ATOM 33 C LIG 1 -5.744 -3.207 -0.478 0.00 0.00 +0.339 C ATOM 34 O LIG 1 -6.655 -3.064 0.322 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.704 -4.120 -1.480 0.00 0.00 -0.464 OA ATOM 36 C LIG 1 -6.865 -4.949 -1.555 0.00 0.00 +0.280 C ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 5 21 BRANCH 1 37 ATOM 37 N LIG 1 0.185 3.579 -0.843 0.00 0.00 -0.329 N ATOM 38 H LIG 1 1.170 3.833 -0.872 0.00 0.00 +0.147 HD BRANCH 37 40 ATOM 39 C LIG 1 -0.301 5.585 -2.124 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -0.576 4.098 -1.972 0.00 0.00 +0.099 C ENDBRANCH 37 40 ENDBRANCH 1 37 TORSDOF 8