REMARK Name = BDB029165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.247 -3.582 -2.755 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -2.710 -2.990 -1.549 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -3.431 -1.943 -0.963 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -4.493 -1.510 -1.401 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -2.800 -1.421 0.231 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -3.119 -0.375 1.137 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.127 -0.374 2.105 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -1.230 -1.373 1.802 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -1.634 -2.012 0.662 0.00 0.00 +0.149 A ATOM 10 N LIG 1 -0.963 -3.034 0.087 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -1.533 -3.474 -0.994 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.217 0.573 1.126 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -5.081 0.694 2.215 0.00 0.00 +0.170 A ATOM 14 F LIG 1 -4.918 -0.065 3.311 0.00 0.00 -0.202 F ATOM 15 C LIG 1 -6.130 1.603 2.174 0.00 0.00 +0.201 A ATOM 16 F LIG 1 -6.962 1.721 3.220 0.00 0.00 -0.199 F ATOM 17 C LIG 1 -6.339 2.414 1.057 0.00 0.00 +0.167 A ATOM 18 C LIG 1 -5.481 2.317 -0.045 0.00 0.00 +0.081 A ATOM 19 C LIG 1 -4.423 1.388 0.001 0.00 0.00 +0.028 A BRANCH 18 20 ATOM 20 C LIG 1 -5.599 3.147 -1.280 0.00 0.00 +0.245 C ATOM 21 O LIG 1 -4.752 3.103 -2.165 0.00 0.00 -0.270 OA ATOM 22 N LIG 1 -6.679 3.969 -1.395 0.00 0.00 -0.325 N ATOM 23 H LIG 1 -6.752 4.564 -2.208 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -7.354 4.061 -0.643 0.00 0.00 +0.145 HD ENDBRANCH 18 20 BRANCH 17 25 ATOM 25 O LIG 1 -7.392 3.296 1.085 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 -7.845 3.181 1.945 0.00 0.00 +0.292 HD ENDBRANCH 17 25 ENDBRANCH 6 12 BRANCH 8 27 ATOM 27 C LIG 1 -0.033 -1.693 2.565 0.00 0.00 +0.219 C BRANCH 27 28 ATOM 28 C LIG 1 1.281 -1.383 1.864 0.00 0.00 +0.237 C ATOM 29 N LIG 1 1.246 -0.352 0.941 0.00 0.00 -0.282 N ATOM 30 H LIG 1 0.355 0.108 0.773 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 2.303 -1.979 2.207 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 2.310 0.138 0.148 0.00 0.00 +0.074 A ATOM 33 C LIG 1 2.035 1.215 -0.686 0.00 0.00 +0.163 A ATOM 34 F LIG 1 0.808 1.756 -0.720 0.00 0.00 -0.202 F ATOM 35 C LIG 1 3.043 1.722 -1.477 0.00 0.00 +0.153 A ATOM 36 N LIG 1 4.302 1.229 -1.488 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 4.588 0.180 -0.683 0.00 0.00 +0.123 A ATOM 38 C LIG 1 3.601 -0.386 0.137 0.00 0.00 +0.069 A BRANCH 37 39 ATOM 39 N LIG 1 5.886 -0.361 -0.684 0.00 0.00 -0.311 N ATOM 40 C LIG 1 6.488 -0.411 0.671 0.00 0.00 +0.134 C ATOM 41 C LIG 1 8.023 -0.405 0.589 0.00 0.00 +0.178 C ATOM 42 O LIG 1 8.548 0.768 -0.054 0.00 0.00 -0.377 OA ATOM 43 C LIG 1 7.708 1.257 -1.116 0.00 0.00 +0.178 C ATOM 44 C LIG 1 6.798 0.177 -1.717 0.00 0.00 +0.134 C ENDBRANCH 37 39 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 7