REMARK Name = BDB000367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.089 -1.002 -1.879 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.298 -0.410 -1.521 0.00 0.00 +0.080 C BRANCH 2 3 ATOM 3 N LIG 1 1.339 1.019 -1.869 0.00 0.00 -0.325 NA ATOM 4 H LIG 1 1.004 1.156 -2.821 0.00 0.00 +0.119 HD ATOM 5 H LIG 1 2.282 1.392 -1.816 0.00 0.00 +0.119 HD ENDBRANCH 2 3 BRANCH 2 6 ATOM 6 C LIG 1 2.429 -1.206 -2.244 0.00 0.00 +0.132 C BRANCH 6 7 ATOM 7 O LIG 1 2.290 -1.055 -3.663 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 2.431 -0.117 -3.872 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 3.863 -0.803 -1.860 0.00 0.00 +0.045 C BRANCH 9 10 ATOM 10 C LIG 1 4.213 -0.916 -0.366 0.00 0.00 +0.074 C ATOM 11 C LIG 1 3.987 -2.325 0.181 0.00 0.00 +0.017 C BRANCH 10 12 ATOM 12 C LIG 1 5.669 -0.499 -0.158 0.00 0.00 +0.216 C ATOM 13 N LIG 1 5.882 0.858 -0.294 0.00 0.00 -0.314 N ATOM 14 H LIG 1 5.085 1.481 -0.289 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 6.570 -1.294 0.083 0.00 0.00 -0.276 OA BRANCH 13 16 ATOM 16 C LIG 1 7.196 1.438 -0.068 0.00 0.00 +0.119 C BRANCH 16 17 ATOM 17 C LIG 1 7.500 1.626 1.433 0.00 0.00 +0.102 C BRANCH 17 18 ATOM 18 N LIG 1 8.792 2.235 1.792 0.00 0.00 -0.307 NA ATOM 19 C LIG 1 8.957 3.583 1.258 0.00 0.00 +0.104 C ATOM 20 C LIG 1 9.922 1.383 1.429 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -1.224 -0.796 -0.826 0.00 0.00 -0.003 C BRANCH 21 22 ATOM 22 C LIG 1 -1.538 0.702 -0.524 0.00 0.00 -0.014 C ATOM 23 C LIG 1 -2.373 0.910 0.745 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -2.184 1.450 -1.692 0.00 0.00 +0.007 C ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 -2.442 -1.638 -1.305 0.00 0.00 +0.039 C BRANCH 25 30 ATOM 26 C LIG 1 -5.839 -1.739 0.438 0.00 0.00 +0.162 A ATOM 27 C LIG 1 -5.530 -2.450 1.614 0.00 0.00 +0.162 A ATOM 28 C LIG 1 -4.222 -2.893 1.828 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -3.223 -2.630 0.886 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -3.515 -1.919 -0.281 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -4.835 -1.498 -0.507 0.00 0.00 +0.053 A BRANCH 27 32 ATOM 32 O LIG 1 -6.570 -2.646 2.490 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -6.310 -3.413 3.657 0.00 0.00 +0.277 C ENDBRANCH 27 32 BRANCH 26 34 ATOM 34 O LIG 1 -7.144 -1.337 0.306 0.00 0.00 -0.488 OA BRANCH 34 35 ATOM 35 C LIG 1 -7.486 -0.362 -0.677 0.00 0.00 +0.231 C BRANCH 35 36 ATOM 36 C LIG 1 -7.039 1.045 -0.288 0.00 0.00 +0.069 C BRANCH 36 37 ATOM 37 C LIG 1 -7.558 1.455 1.087 0.00 0.00 +0.163 C BRANCH 37 39 ATOM 38 C LIG 1 -5.910 2.986 1.855 0.00 0.00 +0.193 C ATOM 39 O LIG 1 -7.235 2.820 1.367 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 25 30 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 20