REMARK Name = BDB038530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.135 2.220 -0.217 0.00 0.00 +0.121 A ATOM 2 N LIG 1 1.188 1.386 -0.115 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.992 0.115 0.308 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.270 -0.353 0.647 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.372 0.501 0.553 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.146 1.813 0.128 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.135 -0.703 0.376 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.203 -2.047 0.710 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.327 -2.841 1.001 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.622 -2.422 0.644 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.205 -3.649 0.896 0.00 0.00 +0.013 A ATOM 12 C LIG 1 5.589 -3.744 0.759 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.350 -2.622 0.376 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.743 -1.378 0.120 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.360 -1.303 0.264 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.439 -0.139 0.067 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.547 -0.173 -0.289 0.00 0.00 +0.418 C ATOM 18 F LIG 1 7.879 -0.419 -0.409 0.00 0.00 -0.166 F ATOM 19 F LIG 1 6.147 0.329 -1.490 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.431 0.851 0.599 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -2.730 0.034 0.887 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -3.783 0.009 -0.055 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -5.065 -0.408 0.338 0.00 0.00 +0.057 A ATOM 24 C LIG 1 -5.322 -0.826 1.645 0.00 0.00 +0.121 A ATOM 25 C LIG 1 -4.285 -0.824 2.573 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.006 -0.396 2.198 0.00 0.00 +0.013 A BRANCH 22 27 ATOM 27 C LIG 1 -3.586 0.400 -1.448 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -2.948 -0.347 -2.407 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -2.387 -1.664 -2.273 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -2.961 0.399 -3.545 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -3.578 1.534 -3.319 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -3.982 1.531 -2.004 0.00 0.00 -0.129 NA ENDBRANCH 22 27 BRANCH 24 33 ATOM 33 O LIG 1 -6.611 -1.216 1.879 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -6.943 -1.577 3.214 0.00 0.00 +0.277 C ENDBRANCH 24 33 ENDBRANCH 5 21 BRANCH 1 35 ATOM 35 N LIG 1 0.314 3.553 -0.626 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -0.395 3.778 -1.322 0.00 0.00 +0.147 HD BRANCH 35 38 ATOM 37 C LIG 1 1.713 5.346 -1.478 0.00 0.00 +0.024 C ATOM 38 C LIG 1 1.660 3.879 -1.083 0.00 0.00 +0.099 C ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 7