REMARK Name = BDB016743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.240 -1.522 1.128 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.841 -2.807 1.540 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.476 -3.061 1.728 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.486 -2.107 1.530 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.740 -2.786 1.819 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.516 -4.047 2.216 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.883 -0.813 1.146 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.814 -4.190 2.119 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.216 -5.091 2.347 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.248 -0.544 0.953 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.931 1.973 -0.256 0.00 0.00 +0.120 A ATOM 12 C LIG 1 7.217 0.851 0.188 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.196 0.340 -0.599 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.251 -0.815 -0.432 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.698 -1.176 0.933 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.437 -0.809 -1.707 0.00 0.00 +0.228 C ATOM 17 N LIG 1 4.864 0.278 -2.453 0.00 0.00 -0.284 N ATOM 18 H LIG 1 4.485 0.492 -3.362 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 3.594 -1.629 -2.028 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.644 -2.113 0.211 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.907 0.959 -1.823 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.588 2.061 -2.292 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.614 2.572 -1.490 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 9.675 3.525 0.213 0.00 0.00 +0.277 C ATOM 25 O LIG 1 8.913 2.389 0.603 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -2.071 -2.259 1.758 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -2.524 -1.336 0.892 0.00 0.00 +0.011 C BRANCH 27 28 ATOM 28 C LIG 1 -3.907 -0.846 0.857 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -4.173 0.470 0.498 0.00 0.00 +0.120 A ATOM 30 N LIG 1 -5.413 1.014 0.407 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 -6.481 0.227 0.655 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -6.299 -1.106 1.028 0.00 0.00 +0.044 A ATOM 33 C LIG 1 -5.014 -1.647 1.119 0.00 0.00 +0.013 A BRANCH 31 34 ATOM 34 N LIG 1 -7.778 0.762 0.581 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -8.681 0.062 -0.358 0.00 0.00 +0.121 C ATOM 36 C LIG 1 -8.478 0.546 -1.814 0.00 0.00 +0.100 C ATOM 37 N LIG 1 -8.624 2.009 -1.970 0.00 0.00 -0.313 NA ATOM 38 H LIG 1 -9.565 2.266 -1.675 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 -7.667 2.672 -1.053 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -7.826 2.232 0.423 0.00 0.00 +0.121 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5