REMARK Name = BDB016711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.235 1.268 -1.634 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -1.444 0.508 -1.755 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.325 1.335 -2.439 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.636 0.962 -2.760 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.100 -0.302 -2.350 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.208 -1.150 -1.672 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.626 2.483 -2.679 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -1.948 3.310 -3.168 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.895 -0.764 -1.360 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -0.383 2.490 -2.178 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.515 -0.750 -2.641 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -6.517 -1.016 -1.535 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -6.251 -0.886 -0.061 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.958 -1.908 0.592 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -6.940 -2.089 1.957 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -6.166 -1.199 2.703 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -5.438 -0.164 2.083 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -7.655 -2.668 -0.350 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -8.247 -3.457 -0.144 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -5.496 0.003 0.694 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -7.452 -2.200 -1.636 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -7.926 -2.638 -2.670 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -6.686 0.186 -2.418 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -4.717 0.618 2.946 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -3.788 1.523 2.361 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 29 ATOM 26 C LIG 1 3.482 0.140 0.231 0.00 0.00 +0.030 A ATOM 27 C LIG 1 2.758 -0.766 -0.560 0.00 0.00 +0.024 A ATOM 28 C LIG 1 1.550 -0.408 -1.174 0.00 0.00 +0.012 A ATOM 29 C LIG 1 1.027 0.876 -1.008 0.00 0.00 +0.003 A ATOM 30 C LIG 1 1.747 1.795 -0.238 0.00 0.00 +0.012 A ATOM 31 C LIG 1 2.954 1.429 0.375 0.00 0.00 +0.024 A BRANCH 26 35 ATOM 32 N LIG 1 7.566 0.584 1.140 0.00 0.00 -0.300 NA ATOM 33 C LIG 1 6.403 1.297 1.722 0.00 0.00 +0.103 C ATOM 34 C LIG 1 5.182 0.402 2.029 0.00 0.00 +0.120 C ATOM 35 N LIG 1 4.686 -0.277 0.814 0.00 0.00 -0.327 N ATOM 36 C LIG 1 5.736 -0.561 -0.199 0.00 0.00 +0.120 C ATOM 37 C LIG 1 7.134 -0.659 0.455 0.00 0.00 +0.103 C BRANCH 32 39 ATOM 38 C LIG 1 9.884 -0.248 1.559 0.00 0.00 +0.020 C ATOM 39 C LIG 1 8.600 0.325 2.151 0.00 0.00 +0.081 C ENDBRANCH 32 39 ENDBRANCH 26 35 ENDBRANCH 1 29 TORSDOF 5