REMARK Name = BDB056432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.430 0.255 1.859 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.623 1.060 1.423 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -1.952 0.644 1.563 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.259 -0.587 2.148 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -1.193 -1.391 2.577 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.139 -0.977 2.437 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.565 -1.087 2.278 0.00 0.00 -0.287 N ATOM 8 H LIG 1 -3.732 -1.554 3.164 0.00 0.00 +0.155 HD BRANCH 7 9 ATOM 9 C LIG 1 -4.706 -0.688 1.655 0.00 0.00 +0.192 C ATOM 10 N LIG 1 -4.713 -0.175 0.403 0.00 0.00 -0.253 N ATOM 11 H LIG 1 -3.923 -0.080 -0.210 0.00 0.00 +0.158 HD ATOM 12 C LIG 1 -5.992 0.074 0.023 0.00 0.00 +0.269 C ATOM 13 O LIG 1 -6.372 0.509 -1.044 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -6.766 -0.335 1.231 0.00 0.00 +0.130 C ATOM 15 C LIG 1 -8.093 -0.303 1.408 0.00 0.00 +0.041 C ATOM 16 N LIG 1 -5.888 -0.812 2.188 0.00 0.00 -0.213 NA BRANCH 15 17 ATOM 17 C LIG 1 -9.097 0.165 0.450 0.00 0.00 -0.019 A ATOM 18 C LIG 1 -10.069 -0.735 -0.008 0.00 0.00 +0.057 A ATOM 19 C LIG 1 -11.023 -0.266 -0.888 0.00 0.00 +0.167 A ATOM 20 O LIG 1 -12.030 -1.000 -1.433 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 -12.670 -0.006 -2.260 0.00 0.00 +0.466 C ATOM 22 O LIG 1 -12.064 1.299 -2.166 0.00 0.00 -0.453 OA ATOM 23 C LIG 1 -11.043 1.044 -1.306 0.00 0.00 +0.166 A ATOM 24 C LIG 1 -10.111 1.958 -0.868 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -9.130 1.511 0.024 0.00 0.00 +0.012 A ENDBRANCH 15 17 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 1.672 0.784 1.653 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 2.805 0.091 2.172 0.00 0.00 +0.257 C BRANCH 27 28 ATOM 28 C LIG 1 3.344 -0.925 1.163 0.00 0.00 +0.201 C BRANCH 28 29 ATOM 29 O LIG 1 4.468 -1.629 1.692 0.00 0.00 -0.374 OA BRANCH 29 30 ATOM 30 C LIG 1 5.719 -0.980 1.458 0.00 0.00 +0.188 C BRANCH 30 31 ATOM 31 C LIG 1 6.292 -1.347 0.086 0.00 0.00 +0.188 C BRANCH 31 32 ATOM 32 O LIG 1 7.569 -0.752 -0.141 0.00 0.00 -0.375 OA BRANCH 32 33 ATOM 33 C LIG 1 7.489 0.616 -0.558 0.00 0.00 +0.188 C BRANCH 33 34 ATOM 34 C LIG 1 8.883 1.101 -0.958 0.00 0.00 +0.188 C BRANCH 34 35 ATOM 35 O LIG 1 9.226 0.547 -2.233 0.00 0.00 -0.376 OA BRANCH 35 36 ATOM 36 C LIG 1 10.561 0.889 -2.617 0.00 0.00 +0.174 C BRANCH 36 37 ATOM 37 C LIG 1 10.867 0.253 -3.979 0.00 0.00 +0.105 C BRANCH 37 38 ATOM 38 N LIG 1 10.698 -1.205 -3.956 0.00 0.00 -0.328 NA ATOM 39 H LIG 1 11.310 -1.601 -3.244 0.00 0.00 +0.118 HD ATOM 40 H LIG 1 9.754 -1.381 -3.599 0.00 0.00 +0.118 HD ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 16