REMARK Name = BDB000858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.764 -0.968 -1.676 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -0.527 -0.967 -0.160 0.00 0.00 +0.237 C ATOM 3 O LIG 1 -1.089 -0.130 0.560 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.330 -1.901 0.381 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.075 -2.962 -0.312 0.00 0.00 +0.077 C ATOM 6 C LIG 1 1.528 -3.911 0.818 0.00 0.00 +0.025 C ATOM 7 C LIG 1 0.584 -3.618 1.972 0.00 0.00 +0.034 C ATOM 8 C LIG 1 2.326 -2.495 -1.074 0.00 0.00 +0.022 C ATOM 9 C LIG 1 2.107 -1.710 -2.366 0.00 0.00 +0.002 C ATOM 10 C LIG 1 1.672 -0.267 -2.136 0.00 0.00 +0.002 C ATOM 11 C LIG 1 0.311 -2.128 1.831 0.00 0.00 +0.162 C ATOM 12 C LIG 1 0.190 -0.015 -2.392 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -2.870 -0.872 -2.996 0.00 0.00 +0.231 C ATOM 14 N LIG 1 -2.146 -0.533 -1.879 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -2.533 0.097 -1.183 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -2.421 -1.593 -3.886 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.297 -0.280 -3.038 0.00 0.00 +0.140 C BRANCH 17 18 ATOM 18 N LIG 1 -4.636 0.109 -4.426 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 -4.368 -0.672 -5.034 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -3.906 1.297 -4.852 0.00 0.00 +0.101 C ENDBRANCH 17 18 BRANCH 17 22 ATOM 21 C LIG 1 -5.186 -1.665 -1.085 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -5.315 -1.331 -2.566 0.00 0.00 +0.025 C ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 11 23 ATOM 23 C LIG 1 1.352 -1.224 2.520 0.00 0.00 +0.234 C ATOM 24 N LIG 1 1.006 0.111 2.490 0.00 0.00 -0.303 N ATOM 25 H LIG 1 0.266 0.371 1.843 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 2.374 -1.650 3.050 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C LIG 1 1.923 1.157 2.896 0.00 0.00 +0.134 C BRANCH 27 28 ATOM 28 C LIG 1 1.240 2.276 3.684 0.00 0.00 -0.023 A ATOM 29 C LIG 1 -0.155 2.413 3.774 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -0.726 3.459 4.504 0.00 0.00 +0.000 A ATOM 31 C LIG 1 0.085 4.384 5.157 0.00 0.00 +0.000 A ATOM 32 C LIG 1 1.470 4.265 5.082 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.042 3.220 4.354 0.00 0.00 +0.006 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 2.678 1.650 1.664 0.00 0.00 -0.023 A ATOM 35 C LIG 1 2.127 2.598 0.785 0.00 0.00 +0.006 A ATOM 36 C LIG 1 2.831 3.015 -0.346 0.00 0.00 +0.000 A ATOM 37 C LIG 1 4.087 2.479 -0.624 0.00 0.00 +0.000 A ATOM 38 C LIG 1 4.638 1.522 0.226 0.00 0.00 +0.000 A ATOM 39 C LIG 1 3.937 1.107 1.359 0.00 0.00 +0.006 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 11 23 TORSDOF 8