REMARK Name = BDB026474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.305 -1.543 -3.876 0.00 0.00 -0.278 N ATOM 2 C LIG 1 1.011 -1.767 -2.527 0.00 0.00 +0.305 C ATOM 3 O LIG 1 1.806 -2.083 -1.659 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -0.359 -1.538 -2.353 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.998 -1.404 -3.648 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.155 -0.966 -4.539 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.659 -1.296 -4.334 0.00 0.00 +0.164 C BRANCH 7 10 ATOM 8 C LIG 1 3.990 1.712 -2.458 0.00 0.00 +0.040 A ATOM 9 C LIG 1 3.679 0.390 -2.764 0.00 0.00 +0.038 A ATOM 10 C LIG 1 3.129 0.108 -4.011 0.00 0.00 +0.059 A ATOM 11 N LIG 1 2.923 1.069 -4.949 0.00 0.00 -0.258 NA ATOM 12 C LIG 1 3.292 2.333 -4.641 0.00 0.00 +0.112 A ATOM 13 C LIG 1 3.822 2.704 -3.422 0.00 0.00 +0.033 A BRANCH 8 15 ATOM 14 O LIG 1 5.530 2.848 -1.151 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 4.559 2.088 -1.143 0.00 0.00 +0.247 C ATOM 16 N LIG 1 3.993 1.583 0.026 0.00 0.00 -0.298 N ATOM 17 C LIG 1 4.689 1.843 1.284 0.00 0.00 +0.108 C ATOM 18 C LIG 1 4.296 0.840 2.364 0.00 0.00 +0.019 C ATOM 19 C LIG 1 2.792 0.872 2.648 0.00 0.00 +0.003 C ATOM 20 C LIG 1 1.964 1.286 1.428 0.00 0.00 +0.019 C ATOM 21 C LIG 1 2.670 0.952 0.114 0.00 0.00 +0.108 C ENDBRANCH 8 15 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -1.061 -1.932 -1.141 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 C LIG 1 -2.426 -1.239 -0.952 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.302 0.180 -1.118 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.480 0.430 -0.653 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.057 -1.575 0.420 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -2.254 -1.109 1.574 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -2.618 0.260 2.005 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -3.903 0.375 2.799 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -4.433 -0.733 3.483 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -5.602 -0.586 4.241 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.233 0.656 4.338 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.703 1.760 3.674 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.781 -2.087 3.344 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -4.542 1.621 2.912 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -2.370 -2.009 2.738 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8