REMARK Name = BDB031758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.233 -0.709 -1.417 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.458 0.335 -1.959 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.066 0.278 -1.823 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.403 -0.767 -1.195 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.013 -0.431 -1.273 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.160 0.724 -1.923 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 2.169 -1.825 -0.672 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.078 1.133 -2.220 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.183 2.015 -2.707 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.567 -1.779 -0.795 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.855 2.912 1.476 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.074 1.668 0.867 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.088 1.535 -0.070 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.592 0.384 -0.894 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.739 -0.689 -1.542 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.760 0.964 -1.657 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.854 2.299 -1.304 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.563 2.911 -1.676 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.470 0.351 -2.437 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.623 -1.017 -0.355 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.881 2.652 -0.368 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.698 3.889 0.212 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.664 4.015 1.145 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.514 4.165 2.994 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.824 2.922 2.377 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.943 -1.244 -0.770 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -0.658 -2.081 -0.274 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.302 -0.968 -0.476 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -3.131 -2.046 -0.168 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.470 -1.780 0.127 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.950 -0.526 0.045 0.00 0.00 -0.213 NA ATOM 32 C LIG 1 -4.094 0.456 -0.292 0.00 0.00 +0.136 A ATOM 33 N LIG 1 -2.788 0.281 -0.539 0.00 0.00 -0.213 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.343 -2.817 0.540 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -6.782 -2.470 0.463 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -7.308 -2.002 1.827 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.199 -3.010 2.849 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -6.142 -3.951 2.605 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -4.938 -3.335 1.873 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 32 40 ATOM 40 C LIG 1 -4.648 1.860 -0.373 0.00 0.00 +0.051 C ATOM 41 C LIG 1 -4.446 2.450 -1.769 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -4.022 2.753 0.697 0.00 0.00 +0.015 C ENDBRANCH 32 40 BRANCH 29 43 ATOM 43 O LIG 1 -2.575 -3.306 -0.125 0.00 0.00 -0.489 OA ATOM 44 C LIG 1 -3.045 -4.087 -1.227 0.00 0.00 +0.277 C ENDBRANCH 29 43 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7