REMARK Name = BDB024278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.891 -1.705 0.760 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -1.184 -1.390 -0.386 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -1.535 -1.682 -1.287 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -1.510 -1.476 1.907 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.046 -0.746 -0.496 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.457 -0.613 -1.775 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 1.648 0.005 -1.986 0.00 0.00 +0.121 A ATOM 8 C LIG 1 2.466 0.515 -0.983 0.00 0.00 +0.003 A ATOM 9 C LIG 1 2.007 0.365 0.325 0.00 0.00 +0.013 A ATOM 10 C LIG 1 0.786 -0.271 0.575 0.00 0.00 +0.044 A BRANCH 8 11 ATOM 11 C LIG 1 3.720 1.175 -1.297 0.00 0.00 +0.021 A ATOM 12 C LIG 1 4.779 1.336 -0.427 0.00 0.00 +0.117 A ATOM 13 N LIG 1 5.773 1.964 -1.129 0.00 0.00 -0.262 N ATOM 14 N LIG 1 5.404 2.288 -2.386 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 4.174 1.781 -2.492 0.00 0.00 +0.143 A BRANCH 13 16 ATOM 16 C LIG 1 7.050 2.433 -0.613 0.00 0.00 +0.239 C BRANCH 16 17 ATOM 17 C LIG 1 7.996 1.311 -0.223 0.00 0.00 +0.237 C ATOM 18 N LIG 1 9.302 1.684 0.118 0.00 0.00 -0.306 N ATOM 19 C LIG 1 10.278 0.630 0.354 0.00 0.00 +0.131 C ATOM 20 C LIG 1 9.844 3.021 -0.079 0.00 0.00 +0.131 C ATOM 21 O LIG 1 7.634 0.134 -0.171 0.00 0.00 -0.274 OA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 22 ATOM 22 C LIG 1 -3.258 -2.384 0.438 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 C LIG 1 -3.118 -3.900 0.460 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -3.356 -4.654 -0.701 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.224 -6.044 -0.683 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.856 -6.697 0.492 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.622 -5.963 1.652 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -2.753 -4.574 1.638 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 -4.327 -1.958 1.366 0.00 0.00 -0.301 NA ATOM 30 H LIG 1 -5.169 -2.497 1.174 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.619 -0.520 1.353 0.00 0.00 +0.089 C BRANCH 31 33 ATOM 32 C LIG 1 -6.526 -0.637 -0.357 0.00 0.00 +0.014 C ATOM 33 C LIG 1 -5.218 0.055 0.044 0.00 0.00 +0.030 C BRANCH 33 34 ATOM 34 C LIG 1 -5.403 1.564 0.162 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -6.368 2.124 1.014 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.512 3.511 1.114 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.691 4.358 0.367 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -4.723 3.812 -0.480 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -4.580 2.425 -0.580 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -5.838 5.781 0.470 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -5.957 6.933 0.552 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 11