REMARK Name = BDB043264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.560 -1.829 -1.153 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.553 -1.570 0.006 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.575 -0.268 0.456 0.00 0.00 -0.308 N ATOM 4 H LIG 1 0.779 0.305 0.158 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 2.195 -2.479 0.526 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 2.362 0.184 1.609 0.00 0.00 +0.113 C BRANCH 6 7 ATOM 7 C LIG 1 3.873 0.153 1.255 0.00 0.00 +0.029 C BRANCH 7 8 ATOM 8 C LIG 1 4.861 0.427 2.409 0.00 0.00 -0.009 C ATOM 9 C LIG 1 4.680 -0.589 3.556 0.00 0.00 +0.003 C ATOM 10 C LIG 1 5.966 -0.805 4.344 0.00 0.00 +0.000 C ATOM 11 C LIG 1 7.086 -1.355 3.464 0.00 0.00 +0.000 C ATOM 12 C LIG 1 6.999 -0.897 2.008 0.00 0.00 +0.000 C ATOM 13 C LIG 1 6.312 0.456 1.882 0.00 0.00 +0.003 C ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 14 ATOM 14 C LIG 1 1.843 1.552 2.124 0.00 0.00 +0.243 C BRANCH 14 15 ATOM 15 C LIG 1 2.317 2.719 1.256 0.00 0.00 +0.338 C ATOM 16 O LIG 1 3.084 3.588 1.664 0.00 0.00 -0.248 OA BRANCH 15 17 ATOM 17 O LIG 1 1.786 2.647 0.009 0.00 0.00 -0.460 OA BRANCH 17 18 ATOM 18 C LIG 1 2.213 3.648 -0.935 0.00 0.00 +0.170 C ATOM 19 C LIG 1 1.163 3.696 -2.038 0.00 0.00 +0.052 C ATOM 20 C LIG 1 3.574 3.266 -1.506 0.00 0.00 +0.052 C ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 O LIG 1 2.206 1.743 3.497 0.00 0.00 -0.379 OA ATOM 22 H LIG 1 2.831 2.495 3.517 0.00 0.00 +0.211 HD ENDBRANCH 14 21 ENDBRANCH 6 14 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 N LIG 1 -0.783 -1.981 -0.589 0.00 0.00 -0.302 N ATOM 24 H LIG 1 -1.003 -2.918 -0.280 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 -1.506 -0.932 -0.059 0.00 0.00 +0.235 C ATOM 26 O LIG 1 -1.048 0.216 -0.068 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 -2.797 -1.290 0.737 0.00 0.00 +0.167 C BRANCH 27 28 ATOM 28 N LIG 1 -3.698 -0.139 0.815 0.00 0.00 -0.281 N ATOM 29 C LIG 1 -4.191 0.534 -0.294 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -3.877 0.414 -1.462 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -5.223 1.452 0.200 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -5.362 1.255 1.573 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -6.294 1.984 2.290 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -7.073 2.919 1.597 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.916 3.110 0.212 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.981 2.365 -0.506 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -4.418 0.197 2.031 0.00 0.00 +0.144 C ENDBRANCH 27 28 BRANCH 27 38 ATOM 38 C LIG 1 -3.511 -2.633 0.471 0.00 0.00 +0.067 C BRANCH 38 39 ATOM 39 C LIG 1 -4.319 -2.797 -0.790 0.00 0.00 -0.045 A ATOM 40 C LIG 1 -5.661 -2.393 -0.832 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -6.419 -2.554 -1.993 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -5.848 -3.133 -3.122 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -4.523 -3.556 -3.089 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -3.764 -3.392 -1.929 0.00 0.00 +0.004 A ENDBRANCH 38 39 ENDBRANCH 27 38 ENDBRANCH 25 27 ENDBRANCH 1 23 BRANCH 1 45 ATOM 45 C LIG 1 0.743 -0.822 -2.307 0.00 0.00 +0.034 C BRANCH 45 47 ATOM 46 C LIG 1 -1.373 -1.016 -3.708 0.00 0.00 +0.007 C ATOM 47 C LIG 1 0.133 -1.266 -3.651 0.00 0.00 -0.015 C ATOM 48 C LIG 1 0.806 -0.514 -4.803 0.00 0.00 +0.007 C ENDBRANCH 45 47 ENDBRANCH 1 45 TORSDOF 16