REMARK Name = BDB032138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.532 1.275 -1.862 0.00 0.00 -0.007 A ATOM 2 C LIG 1 -2.387 0.162 -1.873 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -3.707 0.357 -1.506 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -4.803 -0.614 -1.431 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -5.907 0.055 -0.912 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.662 1.496 -0.827 0.00 0.00 +0.147 C ATOM 7 O LIG 1 -4.716 -1.774 -1.780 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -4.211 1.595 -1.131 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.378 2.688 -1.111 0.00 0.00 +0.129 A ATOM 10 F LIG 1 -3.844 3.890 -0.752 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -2.037 2.536 -1.468 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -7.254 -0.528 -0.908 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -8.316 0.449 -0.376 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -8.719 1.411 -1.027 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.692 0.299 0.938 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -9.319 1.005 1.298 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.125 -0.523 1.879 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -8.373 -0.377 3.072 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.142 -1.551 1.378 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.347 -1.830 -0.103 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 -0.075 1.119 -2.221 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 0.624 0.763 -1.028 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 2.516 0.270 -0.006 0.00 0.00 -0.250 N ATOM 24 H LIG 1 1.847 0.188 0.747 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 1.963 0.617 -1.205 0.00 0.00 +0.405 C ATOM 26 O LIG 1 2.532 0.779 -2.272 0.00 0.00 -0.226 OA BRANCH 23 30 ATOM 27 C LIG 1 6.533 -0.489 0.918 0.00 0.00 +0.047 A ATOM 28 N LIG 1 6.206 -0.149 -0.355 0.00 0.00 -0.258 NA ATOM 29 C LIG 1 4.903 0.095 -0.651 0.00 0.00 +0.134 A ATOM 30 C LIG 1 3.870 0.022 0.272 0.00 0.00 +0.055 A ATOM 31 C LIG 1 4.217 -0.326 1.575 0.00 0.00 +0.027 A ATOM 32 C LIG 1 5.551 -0.583 1.903 0.00 0.00 +0.026 A BRANCH 27 34 ATOM 33 C LIG 1 8.344 -1.147 2.638 0.00 0.00 +0.017 C ATOM 34 C LIG 1 8.019 -0.750 1.184 0.00 0.00 +0.004 C ATOM 35 C LIG 1 8.815 0.528 0.854 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.495 -1.894 0.266 0.00 0.00 +0.017 C ENDBRANCH 27 34 ENDBRANCH 23 30 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6