REMARK Name = BDB019932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.120 -0.939 0.527 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.411 0.272 -0.025 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.587 0.844 0.308 0.00 0.00 +0.074 A ATOM 4 C LIG 1 -2.476 0.234 1.195 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.166 -1.013 1.760 0.00 0.00 -0.023 A ATOM 6 C LIG 1 -0.948 -1.603 1.419 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.850 2.156 -0.307 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -1.600 2.441 -1.665 0.00 0.00 +0.153 A ATOM 9 N LIG 1 -1.833 3.683 -2.207 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -2.329 4.652 -1.413 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -2.608 4.464 -0.077 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.363 3.210 0.475 0.00 0.00 +0.013 A BRANCH 8 13 ATOM 13 C LIG 1 -1.062 1.371 -2.612 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -1.701 0.167 -2.504 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -1.191 1.707 -3.934 0.00 0.00 -0.164 F ATOM 16 F LIG 1 0.272 1.116 -2.448 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.823 -0.897 -0.907 0.00 0.00 -0.303 N ATOM 18 H LIG 1 1.393 -0.042 -1.251 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.179 -1.559 0.112 0.00 0.00 +0.263 C ATOM 20 O LIG 1 1.596 -2.576 0.654 0.00 0.00 -0.269 OA BRANCH 17 21 ATOM 21 C LIG 1 3.157 -1.236 -1.349 0.00 0.00 +0.107 C BRANCH 21 28 ATOM 22 C LIG 1 7.711 -1.274 0.842 0.00 0.00 +0.047 C ATOM 23 C LIG 1 6.444 -0.554 0.498 0.00 0.00 -0.015 A ATOM 24 C LIG 1 6.240 0.755 0.937 0.00 0.00 +0.126 A ATOM 25 F LIG 1 7.191 1.376 1.650 0.00 0.00 -0.205 F ATOM 26 C LIG 1 5.064 1.438 0.649 0.00 0.00 +0.039 A ATOM 27 C LIG 1 4.060 0.807 -0.086 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.224 -0.514 -0.537 0.00 0.00 -0.027 A ATOM 29 C LIG 1 5.426 -1.184 -0.231 0.00 0.00 +0.011 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 3.228 -1.003 -2.840 0.00 0.00 +0.014 C ATOM 31 C LIG 1 3.245 0.375 -3.466 0.00 0.00 +0.006 C ATOM 32 C LIG 1 4.455 -0.512 -3.579 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -3.098 -1.696 2.739 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 N LIG 1 -4.457 -1.752 2.243 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -5.486 -0.857 2.564 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -5.482 0.147 3.366 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -4.577 0.226 3.825 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -6.562 -1.276 1.778 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -7.817 -0.571 1.717 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -6.185 -2.349 0.988 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -4.909 -2.645 1.272 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8