REMARK Name = BDB056030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.812 1.242 -1.846 0.00 0.00 +0.094 A ATOM 2 N LIG 1 -0.160 1.155 -0.924 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -1.247 1.671 -1.518 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -2.093 1.731 -0.964 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -1.037 2.068 -2.809 0.00 0.00 +0.121 A ATOM 6 C LIG 1 0.299 1.824 -3.039 0.00 0.00 +0.073 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.822 -0.103 -1.001 0.00 0.00 +0.038 A ATOM 8 C LIG 1 4.450 0.229 -2.321 0.00 0.00 -0.029 A ATOM 9 C LIG 1 5.412 0.136 -3.477 0.00 0.00 +0.045 C ATOM 10 C LIG 1 3.135 0.669 -2.586 0.00 0.00 +0.015 A ATOM 11 C LIG 1 2.179 0.782 -1.569 0.00 0.00 +0.003 A ATOM 12 C LIG 1 2.562 0.439 -0.269 0.00 0.00 +0.012 A ATOM 13 C LIG 1 3.864 0.002 0.011 0.00 0.00 +0.024 A BRANCH 7 17 ATOM 14 N LIG 1 8.023 -1.302 0.283 0.00 0.00 -0.251 N ATOM 15 H LIG 1 8.365 -1.521 -0.638 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.743 -0.819 0.467 0.00 0.00 +0.309 C ATOM 17 N LIG 1 6.143 -0.548 -0.754 0.00 0.00 -0.269 N ATOM 18 H LIG 1 6.752 -0.596 -1.554 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 6.228 -0.652 1.566 0.00 0.00 -0.252 OA BRANCH 14 24 ATOM 20 C LIG 1 10.482 -2.177 4.556 0.00 0.00 +0.089 C ATOM 21 C LIG 1 9.942 -2.000 3.197 0.00 0.00 +0.136 A ATOM 22 O LIG 1 10.745 -2.382 2.170 0.00 0.00 -0.358 OA ATOM 23 N LIG 1 10.095 -2.154 0.971 0.00 0.00 -0.063 NA ATOM 24 C LIG 1 8.902 -1.637 1.289 0.00 0.00 +0.169 A ATOM 25 C LIG 1 8.761 -1.520 2.689 0.00 0.00 +0.091 A ENDBRANCH 14 24 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 N LIG 1 -1.944 2.643 -3.678 0.00 0.00 -0.267 N ATOM 27 H LIG 1 -1.571 3.067 -4.521 0.00 0.00 +0.157 HD ATOM 28 C LIG 1 -3.293 2.869 -3.514 0.00 0.00 +0.249 C ATOM 29 O LIG 1 -3.885 3.649 -4.257 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -4.068 2.157 -2.484 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -4.106 0.764 -2.457 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -4.836 0.112 -1.456 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -5.559 0.818 -0.478 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -5.524 2.222 -0.562 0.00 0.00 +0.024 A ATOM 35 C LIG 1 -4.797 2.891 -1.553 0.00 0.00 +0.015 A BRANCH 33 36 ATOM 36 N LIG 1 -6.266 0.168 0.518 0.00 0.00 -0.327 N ATOM 37 C LIG 1 -6.016 -1.243 0.860 0.00 0.00 +0.120 C ATOM 38 C LIG 1 -6.452 -1.535 2.314 0.00 0.00 +0.103 C ATOM 39 N LIG 1 -7.890 -1.301 2.573 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -8.119 -1.034 3.990 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -8.422 -0.222 1.715 0.00 0.00 +0.103 C ATOM 42 C LIG 1 -7.388 0.818 1.219 0.00 0.00 +0.120 C ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 5 26 TORSDOF 6