REMARK Name = BDB031695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.253 2.540 0.054 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.421 3.195 -0.872 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.057 2.878 -0.891 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.477 1.954 -0.032 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.909 1.929 -0.389 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.162 2.794 -1.375 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.299 1.310 0.910 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.027 3.334 -1.664 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.069 4.021 -2.407 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.668 1.619 0.941 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.635 -1.621 -1.579 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.593 -0.231 -1.393 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.536 0.377 -0.578 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.789 1.802 -0.173 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.732 2.845 0.130 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.024 1.722 0.695 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.381 0.388 0.773 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.182 0.068 1.294 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.582 2.671 1.219 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.574 2.942 -1.127 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.520 -0.419 0.026 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.593 -1.786 -0.134 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.630 -2.390 -0.949 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.627 -3.511 -2.619 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.652 -2.107 -2.399 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.794 1.137 0.259 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.450 0.504 0.971 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.111 0.758 -0.108 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -3.888 0.105 0.854 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -5.187 -0.280 0.505 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -5.692 0.055 -0.696 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -4.881 0.708 -1.541 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -3.614 1.060 -1.314 0.00 0.00 -0.217 NA BRANCH 30 34 ATOM 34 N LIG 1 -5.999 -1.004 1.401 0.00 0.00 -0.308 N ATOM 35 C LIG 1 -7.440 -1.044 1.058 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -7.764 -2.137 0.025 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -7.280 -3.424 0.450 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -5.858 -3.375 0.645 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -5.480 -2.352 1.729 0.00 0.00 +0.134 C ENDBRANCH 30 34 BRANCH 29 40 ATOM 40 O LIG 1 -3.319 -0.148 2.083 0.00 0.00 -0.489 OA ATOM 41 C LIG 1 -3.918 0.683 3.082 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6