REMARK Name = BDB016749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.766 0.241 -0.042 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.564 -0.735 -1.035 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.253 -1.082 -1.385 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.129 -0.493 -0.818 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.019 -1.123 -1.466 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.431 -2.060 -2.335 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.326 0.482 0.177 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.769 -2.003 -2.269 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.303 -2.635 -2.853 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.635 0.836 0.542 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 9.783 0.380 -0.222 0.00 0.00 +0.120 A ATOM 12 C LIG 1 8.472 0.719 0.135 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.601 -0.292 0.524 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.162 -0.290 0.959 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.163 0.669 0.343 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.873 -1.741 1.274 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.024 -2.454 0.984 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.096 -3.449 1.130 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 4.833 -2.188 1.728 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.563 0.801 1.799 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.055 -1.619 0.553 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.337 -1.986 0.210 0.00 0.00 +0.027 A ATOM 23 C LIG 1 10.204 -0.965 -0.183 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 10.394 2.634 -0.686 0.00 0.00 +0.277 C ATOM 25 O LIG 1 10.752 1.258 -0.627 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.378 -0.877 -1.261 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.944 0.292 -0.917 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -3.390 0.477 -0.740 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -4.330 -0.088 -1.605 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.702 0.137 -1.421 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -6.182 0.935 -0.375 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -5.222 1.511 0.473 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -3.849 1.294 0.294 0.00 0.00 +0.010 A BRANCH 31 34 ATOM 34 N LIG 1 -7.540 1.184 -0.147 0.00 0.00 -0.327 N ATOM 35 C LIG 1 -8.534 0.965 -1.218 0.00 0.00 +0.120 C ATOM 36 C LIG 1 -9.333 -0.332 -0.967 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -10.126 -0.303 0.286 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 -10.275 -1.652 0.827 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -9.536 0.625 1.276 0.00 0.00 +0.103 C ATOM 40 C LIG 1 -7.998 0.779 1.207 0.00 0.00 +0.120 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5