REMARK Name = BDB027197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.315 0.094 -0.659 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.467 1.258 0.108 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.647 1.357 0.854 0.00 0.00 +0.134 A ATOM 4 N LIG 1 2.627 0.422 0.900 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 2.453 -0.708 0.177 0.00 0.00 +0.071 A ATOM 6 C LIG 1 1.321 -0.889 -0.615 0.00 0.00 +0.035 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.524 2.265 0.079 0.00 0.00 -0.327 N ATOM 8 C LIG 1 -0.125 3.368 -0.838 0.00 0.00 +0.126 C ATOM 9 C LIG 1 -0.974 4.647 -0.616 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -2.339 4.247 -0.040 0.00 0.00 +0.186 C ATOM 11 F LIG 1 -3.107 5.364 0.119 0.00 0.00 -0.244 F ATOM 12 C LIG 1 -2.225 3.532 1.302 0.00 0.00 +0.057 C ATOM 13 C LIG 1 -0.928 2.733 1.419 0.00 0.00 +0.108 C BRANCH 9 14 ATOM 14 N LIG 1 -0.289 5.620 0.268 0.00 0.00 -0.324 NA ATOM 15 H LIG 1 -0.944 6.381 0.468 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 0.493 6.045 -0.231 0.00 0.00 +0.119 HD ENDBRANCH 9 14 ENDBRANCH 2 7 BRANCH 5 17 ATOM 17 C LIG 1 3.531 -1.714 0.284 0.00 0.00 +0.002 A ATOM 18 C LIG 1 3.278 -3.094 0.174 0.00 0.00 +0.030 A ATOM 19 C LIG 1 4.315 -4.025 0.275 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 3.967 -5.705 0.130 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 5.625 -3.609 0.491 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.900 -2.251 0.615 0.00 0.00 +0.002 A ATOM 23 C LIG 1 4.863 -1.318 0.515 0.00 0.00 +0.010 A ENDBRANCH 5 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.919 -0.168 -1.486 0.00 0.00 +0.161 C BRANCH 24 29 ATOM 25 C LIG 1 -3.424 -3.929 0.255 0.00 0.00 +0.147 A ATOM 26 C LIG 1 -3.090 -2.577 0.070 0.00 0.00 +0.147 A ATOM 27 N LIG 1 -3.643 -1.405 0.549 0.00 0.00 -0.231 NA ATOM 28 C LIG 1 -2.899 -0.450 0.033 0.00 0.00 +0.202 A ATOM 29 N LIG 1 -1.890 -0.949 -0.746 0.00 0.00 -0.310 N ATOM 30 C LIG 1 -1.994 -2.313 -0.737 0.00 0.00 +0.166 A ATOM 31 N LIG 1 -1.210 -3.207 -1.364 0.00 0.00 -0.216 NA ATOM 32 C LIG 1 -1.620 -4.466 -1.104 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -2.657 -4.872 -0.339 0.00 0.00 -0.219 NA BRANCH 25 34 ATOM 34 N LIG 1 -4.494 -4.349 1.036 0.00 0.00 -0.341 N ATOM 35 H LIG 1 -4.373 -5.297 1.365 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -4.796 -3.651 1.706 0.00 0.00 +0.144 HD ENDBRANCH 25 34 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 6