REMARK Name = BDB065044 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.033 2.117 -0.050 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.853 1.671 -0.521 0.00 0.00 +0.102 A ATOM 3 N LIG 1 0.906 1.216 0.353 0.00 0.00 -0.250 N ATOM 4 C LIG 1 1.040 1.187 1.704 0.00 0.00 +0.174 A ATOM 5 N LIG 1 0.019 0.705 2.338 0.00 0.00 -0.143 NA ATOM 6 N LIG 1 -0.885 0.380 1.335 0.00 0.00 -0.180 N ATOM 7 C LIG 1 2.304 1.702 2.266 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -0.341 0.694 0.068 0.00 0.00 +0.356 A ATOM 9 O LIG 1 -0.820 0.550 -1.047 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 3.235 2.148 1.397 0.00 0.00 +0.022 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.134 -0.189 1.665 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -3.084 -0.519 0.685 0.00 0.00 +0.035 A ATOM 13 C LIG 1 -4.334 -1.085 1.019 0.00 0.00 -0.002 A ATOM 14 C LIG 1 -4.596 -1.348 2.376 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -3.666 -1.024 3.361 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.449 -0.444 3.007 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -5.373 -1.453 -0.064 0.00 0.00 +0.144 C ATOM 18 O LIG 1 -4.957 -0.959 -1.362 0.00 0.00 -0.439 OA ATOM 19 C LIG 1 -5.307 0.257 -1.846 0.00 0.00 +0.401 C ATOM 20 O LIG 1 -4.849 0.697 -2.894 0.00 0.00 -0.226 OA ATOM 21 N LIG 1 -6.223 0.976 -1.140 0.00 0.00 -0.281 N ATOM 22 H LIG 1 -6.377 1.909 -1.502 0.00 0.00 +0.152 HD ATOM 23 C LIG 1 -6.729 0.605 0.146 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -6.770 -0.900 0.264 0.00 0.00 +0.072 C BRANCH 17 25 ATOM 25 C LIG 1 -5.330 -2.977 -0.193 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -6.329 -3.748 -1.028 0.00 0.00 +0.008 C ATOM 27 C LIG 1 -6.315 -3.917 0.467 0.00 0.00 +0.008 C ENDBRANCH 17 25 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 7 28 ATOM 28 C LIG 1 2.415 1.685 3.743 0.00 0.00 +0.421 C ATOM 29 F LIG 1 2.333 0.433 4.258 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.463 2.439 4.346 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.612 2.186 4.160 0.00 0.00 -0.166 F ENDBRANCH 7 28 BRANCH 1 32 ATOM 32 C LIG 1 4.115 2.660 -0.960 0.00 0.00 +0.121 C BRANCH 32 36 ATOM 33 C LIG 1 6.647 0.566 -3.791 0.00 0.00 +0.009 C ATOM 34 C LIG 1 5.965 -0.205 -2.655 0.00 0.00 +0.000 C ATOM 35 C LIG 1 4.773 0.579 -2.075 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.213 1.757 -1.319 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 6.084 1.392 -0.201 0.00 0.00 +0.085 C ATOM 38 C LIG 1 7.329 0.652 -0.695 0.00 0.00 +0.016 C ATOM 39 C LIG 1 6.958 -0.563 -1.541 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 6