REMARK Name = BDB058003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.521 0.038 -0.858 0.00 0.00 -0.156 N ATOM 2 C LIG 1 1.241 0.337 -0.358 0.00 0.00 +0.272 C ATOM 3 O LIG 1 0.866 0.573 0.775 0.00 0.00 -0.268 OA ATOM 4 C LIG 1 0.391 0.286 -1.575 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -0.921 0.465 -1.773 0.00 0.00 +0.061 C ATOM 6 C LIG 1 1.331 -0.064 -2.656 0.00 0.00 +0.069 C ATOM 7 C LIG 1 0.942 -0.243 -4.088 0.00 0.00 +0.068 C ATOM 8 N LIG 1 2.556 -0.199 -2.230 0.00 0.00 -0.177 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 6.192 -0.244 1.266 0.00 0.00 +0.037 A ATOM 10 C LIG 1 5.008 0.053 1.946 0.00 0.00 +0.015 A ATOM 11 C LIG 1 3.794 0.150 1.252 0.00 0.00 +0.026 A ATOM 12 C LIG 1 3.736 -0.056 -0.132 0.00 0.00 +0.060 A ATOM 13 C LIG 1 4.933 -0.371 -0.799 0.00 0.00 +0.026 A ATOM 14 C LIG 1 6.150 -0.469 -0.112 0.00 0.00 +0.015 A BRANCH 9 17 ATOM 15 N LIG 1 8.622 -0.075 1.357 0.00 0.00 -0.301 N ATOM 16 H LIG 1 8.566 0.403 0.469 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 7.458 -0.337 2.046 0.00 0.00 +0.245 C ATOM 18 O LIG 1 7.431 -0.601 3.243 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 9.877 -0.012 2.064 0.00 0.00 +0.193 C BRANCH 19 21 ATOM 20 C LIG 1 11.883 0.212 0.322 0.00 0.00 +0.005 C ATOM 21 C LIG 1 10.979 0.111 1.107 0.00 0.00 -0.087 C ENDBRANCH 19 21 ENDBRANCH 15 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 5 22 ATOM 22 C LIG 1 -1.880 0.813 -0.786 0.00 0.00 +0.129 A ATOM 23 O LIG 1 -3.171 0.333 -0.858 0.00 0.00 -0.455 OA ATOM 24 C LIG 1 -3.898 0.842 0.175 0.00 0.00 +0.138 A ATOM 25 C LIG 1 -3.099 1.668 0.931 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -1.825 1.661 0.312 0.00 0.00 +0.050 A BRANCH 24 27 ATOM 27 C LIG 1 -5.290 0.409 0.236 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -6.353 1.239 0.605 0.00 0.00 +0.137 A ATOM 29 C LIG 1 -7.676 0.779 0.694 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -7.971 -0.558 0.398 0.00 0.00 -0.045 A ATOM 31 C LIG 1 -9.393 -1.040 0.494 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -6.927 -1.418 0.005 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -7.187 -2.864 -0.327 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -5.607 -0.926 -0.067 0.00 0.00 +0.017 A BRANCH 28 35 ATOM 35 N LIG 1 -6.132 2.641 0.878 0.00 0.00 +0.057 N ATOM 36 O LIG 1 -6.201 2.998 2.062 0.00 0.00 -0.126 OA ATOM 37 O LIG 1 -5.919 3.381 -0.090 0.00 0.00 -0.126 OA ENDBRANCH 28 35 ENDBRANCH 24 27 ENDBRANCH 5 22 TORSDOF 7