REMARK Name = BDB058758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.424 1.414 0.374 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.743 0.837 1.448 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.380 0.535 1.329 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.661 0.830 0.161 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.366 1.383 -0.914 0.00 0.00 +0.023 A ATOM 6 C LIG 1 2.728 1.692 -0.805 0.00 0.00 +0.015 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 5.319 2.665 -0.247 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.871 1.756 0.443 0.00 0.00 +0.244 C ATOM 9 N LIG 1 5.641 0.981 1.283 0.00 0.00 -0.307 N ATOM 10 H LIG 1 5.259 0.108 1.619 0.00 0.00 +0.149 HD BRANCH 9 11 ATOM 11 C LIG 1 7.080 1.119 1.325 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 7.746 0.035 0.517 0.00 0.00 -0.027 A ATOM 13 C LIG 1 8.281 -1.102 1.142 0.00 0.00 +0.050 A ATOM 14 C LIG 1 8.873 -2.101 0.372 0.00 0.00 +0.117 A ATOM 15 C LIG 1 8.937 -1.993 -1.012 0.00 0.00 +0.045 A ATOM 16 C LIG 1 8.403 -0.871 -1.642 0.00 0.00 +0.004 A ATOM 17 C LIG 1 7.809 0.138 -0.881 0.00 0.00 +0.005 A BRANCH 14 18 ATOM 18 O LIG 1 9.407 -3.217 0.945 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 9.322 -3.144 1.909 0.00 0.00 +0.292 HD ENDBRANCH 14 18 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 N LIG 1 -0.676 0.436 0.089 0.00 0.00 -0.340 N ATOM 21 H LIG 1 -1.122 0.405 1.003 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.548 1.012 -0.927 0.00 0.00 +0.136 C BRANCH 22 23 ATOM 23 C LIG 1 -2.967 0.557 -0.677 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -3.917 1.433 -0.136 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -5.225 1.001 0.103 0.00 0.00 +0.009 A ATOM 26 C LIG 1 -5.615 -0.316 -0.188 0.00 0.00 -0.017 A ATOM 27 C LIG 1 -4.655 -1.192 -0.717 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -3.348 -0.762 -0.958 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 -6.989 -0.772 0.075 0.00 0.00 -0.004 A ATOM 30 C LIG 1 -8.115 -0.276 -0.613 0.00 0.00 +0.067 A ATOM 31 C LIG 1 -9.412 -0.684 -0.264 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -9.604 -1.618 0.752 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.503 -2.140 1.426 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.212 -1.718 1.094 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 -8.009 0.697 -1.716 0.00 0.00 +0.337 C ATOM 36 O LIG 1 -8.643 1.730 -1.816 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 -7.181 0.267 -2.682 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 -7.201 0.976 -3.357 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 10