REMARK Name = BDB034482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.487 -2.419 -4.529 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -0.379 -2.254 -3.617 0.00 0.00 -0.266 N ATOM 3 C LIG 1 -0.405 -1.717 -2.347 0.00 0.00 +0.080 A ATOM 4 C LIG 1 0.906 -1.798 -1.898 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.629 -2.352 -2.973 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.848 -2.642 -4.014 0.00 0.00 -0.179 NA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.371 -1.368 -0.595 0.00 0.00 -0.012 A ATOM 8 C LIG 1 2.311 -0.335 -0.495 0.00 0.00 +0.038 A ATOM 9 C LIG 1 2.762 0.097 0.753 0.00 0.00 +0.090 A ATOM 10 N LIG 1 3.704 1.150 0.802 0.00 0.00 -0.229 NA ATOM 11 C LIG 1 4.142 1.579 1.955 0.00 0.00 +0.142 A ATOM 12 C LIG 1 3.658 0.977 3.162 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.745 -0.046 3.121 0.00 0.00 -0.294 N ATOM 14 C LIG 1 2.479 -0.406 4.413 0.00 0.00 +0.204 A ATOM 15 N LIG 1 3.166 0.321 5.271 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 3.913 1.177 4.499 0.00 0.00 +0.142 A ATOM 17 C LIG 1 2.253 -0.533 1.903 0.00 0.00 +0.074 A ATOM 18 C LIG 1 1.322 -1.570 1.826 0.00 0.00 +0.029 A ATOM 19 C LIG 1 0.885 -1.986 0.567 0.00 0.00 +0.011 A BRANCH 11 20 ATOM 20 N LIG 1 5.040 2.607 1.938 0.00 0.00 -0.341 N ATOM 21 H LIG 1 4.967 3.268 2.701 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 5.070 3.056 1.028 0.00 0.00 +0.144 HD ENDBRANCH 11 20 ENDBRANCH 4 7 BRANCH 3 23 ATOM 23 C LIG 1 -1.607 -1.190 -1.689 0.00 0.00 +0.058 A ATOM 24 C LIG 1 -1.793 0.188 -1.470 0.00 0.00 +0.105 A ATOM 25 C LIG 1 -2.933 0.623 -0.776 0.00 0.00 +0.140 A ATOM 26 C LIG 1 -3.903 -0.278 -0.332 0.00 0.00 +0.070 A ATOM 27 C LIG 1 -3.722 -1.638 -0.560 0.00 0.00 +0.080 A ATOM 28 CL LIG 1 -4.912 -2.751 -0.006 0.00 0.00 -0.080 Cl ATOM 29 C LIG 1 -2.584 -2.088 -1.229 0.00 0.00 +0.152 A ATOM 30 F LIG 1 -2.416 -3.405 -1.436 0.00 0.00 -0.203 F BRANCH 24 31 ATOM 31 C LIG 1 -0.848 1.157 -1.954 0.00 0.00 +0.104 C ATOM 32 N LIG 1 -0.092 1.945 -2.348 0.00 0.00 -0.191 NA ENDBRANCH 24 31 BRANCH 25 33 ATOM 33 O LIG 1 -3.151 1.963 -0.569 0.00 0.00 -0.487 OA BRANCH 33 34 ATOM 34 C LIG 1 -2.721 2.375 0.749 0.00 0.00 +0.174 C ATOM 35 C LIG 1 -3.811 2.663 1.746 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -3.064 3.796 1.105 0.00 0.00 +0.048 C ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 3 23 TORSDOF 6