REMARK Name = BDB025193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.008 -0.765 -0.646 0.00 0.00 +0.177 A ATOM 2 N LIG 1 -0.818 0.539 -0.215 0.00 0.00 -0.318 N ATOM 3 C LIG 1 0.551 0.767 -0.172 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.121 -0.410 -0.633 0.00 0.00 +0.095 A ATOM 5 C LIG 1 2.523 -0.532 -0.738 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.169 -1.778 -1.268 0.00 0.00 +0.041 C ATOM 7 C LIG 1 4.379 -2.060 -0.408 0.00 0.00 +0.027 C ATOM 8 C LIG 1 5.377 -0.892 -0.471 0.00 0.00 +0.082 C ATOM 9 C LIG 1 6.336 -1.048 0.724 0.00 0.00 +0.028 C ATOM 10 N LIG 1 4.762 0.459 -0.496 0.00 0.00 -0.234 N ATOM 11 C LIG 1 5.548 1.582 -0.810 0.00 0.00 +0.407 C ATOM 12 O LIG 1 5.156 2.741 -0.905 0.00 0.00 -0.226 OA ATOM 13 C LIG 1 3.332 0.568 -0.372 0.00 0.00 +0.045 A ATOM 14 C LIG 1 2.719 1.737 0.101 0.00 0.00 +0.026 A ATOM 15 C LIG 1 1.327 1.863 0.212 0.00 0.00 +0.030 A ATOM 16 N LIG 1 0.153 -1.330 -0.931 0.00 0.00 -0.224 NA ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.807 1.560 0.134 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.273 1.449 1.597 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.723 1.898 1.808 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -4.098 3.132 0.984 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.806 2.969 -0.519 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.971 1.728 -0.854 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.393 4.349 1.547 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.263 4.723 1.282 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.141 5.009 2.451 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.570 5.750 2.745 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 1 29 ATOM 27 C LIG 1 -2.066 -1.942 -3.220 0.00 0.00 +0.039 C ATOM 28 C LIG 1 -2.755 -1.891 -1.893 0.00 0.00 +0.020 C ATOM 29 C LIG 1 -2.293 -1.362 -0.744 0.00 0.00 +0.167 C BRANCH 29 30 ATOM 30 O LIG 1 -3.035 -1.356 0.427 0.00 0.00 -0.453 OA BRANCH 30 31 ATOM 31 C LIG 1 -3.421 -2.564 0.963 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -4.673 -2.604 1.577 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -5.122 -3.785 2.170 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -4.312 -4.921 2.159 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.051 -4.875 1.562 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -2.600 -3.695 0.969 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 BRANCH 11 37 ATOM 37 O LIG 1 6.852 1.251 -1.058 0.00 0.00 -0.453 OA ATOM 38 C LIG 1 7.689 2.353 -1.410 0.00 0.00 +0.282 C ENDBRANCH 11 37 TORSDOF 7