REMARK Name = BDB032285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.219 1.113 -0.211 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.369 0.140 -0.717 0.00 0.00 +0.118 A ATOM 3 N LIG 1 0.889 -0.085 -0.270 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 1.361 0.694 0.723 0.00 0.00 +0.119 A ATOM 5 C LIG 1 0.571 1.687 1.299 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.722 1.904 0.824 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.643 0.483 1.251 0.00 0.00 -0.329 N ATOM 8 H LIG 1 3.119 1.371 1.363 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 3.464 -0.530 0.588 0.00 0.00 +0.106 C BRANCH 9 10 ATOM 10 C LIG 1 4.114 -0.011 -0.713 0.00 0.00 +0.008 C ATOM 11 C LIG 1 4.699 -1.173 -1.531 0.00 0.00 +0.020 C ATOM 12 C LIG 1 5.973 -1.745 -0.906 0.00 0.00 +0.084 C ATOM 13 N LIG 1 6.986 -0.698 -0.724 0.00 0.00 -0.305 NA ATOM 14 C LIG 1 8.218 -1.264 -0.174 0.00 0.00 +0.104 C ATOM 15 C LIG 1 6.496 0.395 0.123 0.00 0.00 +0.084 C ATOM 16 C LIG 1 5.226 1.022 -0.460 0.00 0.00 +0.020 C ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 C LIG 1 -2.601 1.311 -0.770 0.00 0.00 +0.138 C BRANCH 17 18 ATOM 18 N LIG 1 -3.587 1.195 0.301 0.00 0.00 -0.338 N ATOM 19 H LIG 1 -3.393 0.404 0.912 0.00 0.00 +0.146 HD BRANCH 18 26 ATOM 20 C LIG 1 -7.530 -2.541 2.246 0.00 0.00 +0.063 C ATOM 21 C LIG 1 -7.047 -1.398 1.435 0.00 0.00 +0.014 A ATOM 22 N LIG 1 -7.883 -0.697 0.602 0.00 0.00 -0.357 N ATOM 23 H LIG 1 -8.867 -0.888 0.472 0.00 0.00 +0.166 HD ATOM 24 C LIG 1 -7.194 0.311 -0.033 0.00 0.00 +0.067 A ATOM 25 C LIG 1 -5.870 0.259 0.405 0.00 0.00 +0.024 A ATOM 26 C LIG 1 -4.932 1.187 -0.102 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -5.479 2.119 -0.995 0.00 0.00 +0.134 A ATOM 28 N LIG 1 -6.764 2.166 -1.426 0.00 0.00 -0.259 NA ATOM 29 C LIG 1 -7.637 1.256 -0.949 0.00 0.00 +0.137 A ATOM 30 C LIG 1 -5.796 -0.826 1.331 0.00 0.00 +0.032 A ENDBRANCH 18 26 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 6