REMARK Name = BDB051005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.208 -0.729 -0.877 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.258 -0.726 -1.909 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.087 -0.001 -1.744 0.00 0.00 -0.038 A ATOM 4 C LIG 1 1.933 0.114 -2.693 0.00 0.00 +0.040 C ATOM 5 C LIG 1 1.197 1.344 -2.137 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.489 1.365 -0.628 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.413 0.677 0.172 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.048 -0.486 0.083 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.096 1.620 1.003 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.513 2.808 0.811 0.00 0.00 +0.411 C ATOM 11 O LIG 1 0.263 3.851 1.395 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.501 2.697 -0.123 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.837 0.708 -0.564 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.767 0.721 0.462 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.957 0.002 0.296 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 9.604 -2.751 -0.048 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.430 -2.410 -0.814 0.00 0.00 -0.302 N ATOM 18 H LIG 1 8.592 -2.127 -1.769 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.386 -1.748 -0.190 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.388 -1.467 -1.097 0.00 0.00 -0.269 N ATOM 21 H LIG 1 6.446 -1.978 -1.964 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.394 -1.487 1.005 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.268 1.420 1.824 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.505 1.614 0.932 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.683 0.961 1.326 0.00 0.00 -0.293 N ATOM 26 O LIG 1 -2.438 2.311 -0.083 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 -3.982 0.790 2.764 0.00 0.00 +0.076 C ATOM 28 C LIG 1 -5.311 1.413 3.212 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -3.862 -0.632 3.258 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -3.127 -1.722 2.514 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.625 -1.784 2.652 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 BRANCH 25 32 ATOM 32 C LIG 1 -4.799 0.988 0.371 0.00 0.00 +0.143 C BRANCH 32 33 ATOM 33 C LIG 1 -4.493 0.406 -0.996 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -4.192 -0.952 -1.163 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.924 -1.474 -2.430 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.955 -0.645 -3.549 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.253 0.706 -3.401 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.522 1.228 -2.134 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 7