REMARK Name = BDB045355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.055 -2.509 -0.654 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.479 -2.587 -1.936 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.159 -2.153 -2.107 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.378 -1.662 -1.069 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.127 -1.328 -1.673 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.138 -1.591 -2.989 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.936 -1.611 0.221 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.358 -2.099 -3.213 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.589 -2.387 -4.157 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.259 -2.040 0.406 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.560 1.786 0.118 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.559 0.473 -0.364 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.344 -0.484 0.274 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.554 -1.952 0.030 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.485 -2.936 -0.409 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.564 -2.365 1.076 0.00 0.00 +0.231 C ATOM 17 N LIG 1 -7.854 -1.232 1.829 0.00 0.00 -0.273 N ATOM 18 C LIG 1 -8.780 -1.203 2.928 0.00 0.00 +0.138 C ATOM 19 O LIG 1 -8.009 -3.496 1.194 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.593 -2.525 -1.359 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.142 -0.107 1.367 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -7.176 1.186 1.850 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.372 2.134 1.212 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.842 2.484 -1.369 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.823 2.820 -0.393 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.997 -0.776 -0.972 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.166 -0.438 -1.544 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.303 0.136 -0.814 0.00 0.00 -0.025 A ATOM 29 C LIG 1 3.703 -0.340 0.440 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.809 0.212 1.093 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.548 1.242 0.497 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.150 1.714 -0.762 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.045 1.159 -1.414 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 6.733 1.856 1.215 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 7.947 1.928 0.388 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 8.538 0.600 0.110 0.00 0.00 +0.113 C ATOM 37 C LIG 1 9.739 0.263 1.008 0.00 0.00 +0.175 C ATOM 38 O LIG 1 10.810 1.212 0.904 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 10.367 2.522 0.525 0.00 0.00 +0.175 C ATOM 40 C LIG 1 8.943 2.823 1.014 0.00 0.00 +0.113 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6