REMARK Name = BDB058753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.139 3.061 -2.752 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.833 2.289 -1.514 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.532 1.139 -1.035 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.915 0.727 0.147 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.362 -0.398 0.864 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.465 -1.106 0.373 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.111 -0.704 -0.797 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.134 1.601 0.383 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.642 0.407 -1.512 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.186 2.559 -0.612 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.209 3.645 -0.642 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.286 -1.442 -1.338 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.061 -2.114 -0.418 0.00 0.00 -0.306 N ATOM 14 H LIG 1 4.983 -1.860 0.558 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.544 -1.406 -2.537 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.326 -2.707 -0.803 0.00 0.00 +0.160 C BRANCH 16 17 ATOM 17 C LIG 1 7.469 -1.737 -0.610 0.00 0.00 +0.058 A ATOM 18 N LIG 1 8.048 -1.698 0.620 0.00 0.00 -0.258 NA ATOM 19 C LIG 1 9.049 -0.808 0.802 0.00 0.00 +0.111 A ATOM 20 C LIG 1 9.498 0.061 -0.177 0.00 0.00 +0.020 A ATOM 21 C LIG 1 8.883 0.022 -1.422 0.00 0.00 +0.003 A ATOM 22 C LIG 1 7.851 -0.885 -1.644 0.00 0.00 +0.025 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 23 ATOM 23 C LIG 1 -1.018 1.543 1.548 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -2.392 1.003 1.227 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -3.531 1.679 1.686 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.811 1.177 1.434 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.985 -0.021 0.728 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -3.846 -0.701 0.276 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -2.565 -0.200 0.527 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.329 -0.542 0.450 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -6.930 -1.581 1.190 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -8.205 -2.057 0.834 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -8.890 -1.508 -0.249 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.311 -0.479 -0.984 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.044 -0.003 -0.638 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -6.259 -2.173 2.376 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -5.550 -1.613 3.187 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.522 -3.491 2.481 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -6.015 -3.761 3.275 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 8