REMARK Name = BDB028140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.824 0.325 0.265 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.489 -0.163 0.372 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -1.574 0.720 0.476 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.346 2.093 0.454 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -2.491 3.014 0.528 0.00 0.00 +0.272 A ATOM 6 N LIG 1 -3.732 2.432 0.603 0.00 0.00 -0.242 N ATOM 7 H LIG 1 -4.535 3.052 0.652 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -3.990 1.097 0.648 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -2.334 4.230 0.517 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -0.045 2.594 0.352 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -2.985 0.271 0.602 0.00 0.00 +0.083 A ATOM 12 C LIG 1 1.034 1.712 0.262 0.00 0.00 +0.009 A ENDROOT BRANCH 1 17 ATOM 13 C LIG 1 5.226 -1.694 -0.848 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.892 -1.477 -0.343 0.00 0.00 -0.274 N ATOM 15 N LIG 1 3.270 -2.463 0.326 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.082 -1.933 0.629 0.00 0.00 +0.142 A ATOM 17 C LIG 1 1.939 -0.603 0.164 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.139 -0.345 -0.467 0.00 0.00 +0.116 A ENDBRANCH 1 17 BRANCH 11 19 ATOM 19 C LIG 1 -3.306 -1.219 0.678 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -3.232 -1.796 -0.665 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -3.908 -1.310 -1.259 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -3.555 -2.763 -0.626 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 11 19 TORSDOF 3