REMARK Name = BDB025023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.575 0.035 0.546 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.675 0.050 -0.533 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.222 0.472 -1.841 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.152 -0.601 -2.432 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.167 0.821 -2.903 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.982 1.520 -2.272 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.394 0.576 -1.264 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.001 0.405 -1.120 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.013 1.020 -1.806 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.142 0.550 -1.303 0.00 0.00 +0.121 A ATOM 11 N LIG 1 -0.881 -0.402 -0.331 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.492 -0.478 -0.176 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.329 -1.210 0.670 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.711 -1.026 0.531 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.258 -0.139 -0.405 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.787 0.192 0.421 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.877 -1.178 0.406 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.735 -2.693 0.203 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.898 -3.470 0.832 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.432 -2.862 2.144 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.407 -1.937 2.803 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.952 -0.790 1.894 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.752 -2.130 1.933 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.143 -1.696 0.860 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.466 -1.981 3.070 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.050 -2.365 3.865 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.897 -0.046 2.873 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.989 -0.099 1.772 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.523 1.026 -1.716 0.00 0.00 +0.110 C BRANCH 29 30 ATOM 30 C LIG 1 -3.192 1.874 -0.639 0.00 0.00 -0.035 A ATOM 31 C LIG 1 -2.562 3.004 -0.096 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.183 3.758 0.902 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.443 3.393 1.371 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.085 2.278 0.838 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.467 1.526 -0.163 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -2.488 1.755 -3.083 0.00 0.00 +0.171 C BRANCH 36 37 ATOM 37 O LIG 1 -1.580 2.858 -3.130 0.00 0.00 -0.394 OA ATOM 38 H LIG 1 -0.727 2.501 -2.798 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 10 29 TORSDOF 8