REMARK Name = BDB031925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.217 -1.361 -2.071 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.251 -2.335 -1.758 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.959 -1.921 -1.186 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.262 -0.593 -0.922 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.572 -0.615 -0.345 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -3.039 -1.865 -0.265 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.310 0.389 -1.251 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -2.057 -2.622 -0.776 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -2.197 -3.624 -0.816 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.907 -0.011 -1.825 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.787 -0.284 1.685 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.340 -0.994 0.560 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.045 -0.901 -0.631 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.862 -1.512 -1.992 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.540 -1.742 -2.695 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.046 -1.004 -2.783 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.773 -0.179 -1.942 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.620 0.283 -2.233 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.291 -1.282 -3.944 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.345 -2.911 -2.164 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.202 -0.110 -0.670 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.673 0.599 0.414 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.948 0.508 1.606 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.391 0.264 3.968 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.009 -0.449 2.799 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.196 0.523 0.044 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -2.701 1.404 -0.082 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.458 0.762 0.629 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -4.846 2.080 0.936 0.00 0.00 +0.238 A ATOM 30 N LIG 1 -6.025 2.436 1.496 0.00 0.00 -0.201 NA ATOM 31 C LIG 1 -6.885 1.429 1.773 0.00 0.00 +0.144 A ATOM 32 C LIG 1 -6.610 0.093 1.514 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.383 -0.236 0.935 0.00 0.00 +0.031 A BRANCH 29 34 ATOM 34 O LIG 1 -3.919 3.069 0.626 0.00 0.00 -0.478 OA ATOM 35 C LIG 1 -4.370 4.380 0.953 0.00 0.00 +0.279 C ENDBRANCH 29 34 BRANCH 31 36 ATOM 36 C LIG 1 -8.134 1.817 2.369 0.00 0.00 +0.119 C ATOM 37 N LIG 1 -9.153 2.096 2.851 0.00 0.00 -0.189 NA ENDBRANCH 31 36 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6