REMARK Name = BDB064598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.769 -0.802 -1.088 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.110 -1.863 -1.095 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.242 -2.811 -1.215 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.428 0.329 -0.747 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.677 -0.159 0.017 0.00 0.00 +0.240 C ATOM 6 N LIG 1 -3.152 -0.140 -1.258 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -2.164 -1.145 -1.639 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.136 -1.127 -3.175 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.467 -0.483 -3.547 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.663 0.546 -2.434 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -3.270 -0.928 0.887 0.00 0.00 -0.273 OA BRANCH 5 12 ATOM 12 C LIG 1 -4.846 0.752 0.361 0.00 0.00 +0.117 C ATOM 13 C LIG 1 -4.549 1.895 1.376 0.00 0.00 -0.003 C ATOM 14 C LIG 1 -3.127 2.127 1.836 0.00 0.00 +0.013 C ATOM 15 C LIG 1 -5.576 2.254 2.421 0.00 0.00 +0.013 C ATOM 16 C LIG 1 -4.873 2.213 -0.055 0.00 0.00 +0.044 C BRANCH 12 19 ATOM 17 C LIG 1 -7.856 -1.538 0.021 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -6.697 -0.703 -0.457 0.00 0.00 +0.211 C ATOM 19 N LIG 1 -6.104 0.036 0.545 0.00 0.00 -0.301 N ATOM 20 H LIG 1 -6.271 -0.276 1.495 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -6.334 -0.716 -1.629 0.00 0.00 -0.276 OA ENDBRANCH 12 19 ENDBRANCH 5 12 BRANCH 9 22 ATOM 22 O LIG 1 -4.478 -1.492 -3.539 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 -5.179 -1.226 -2.901 0.00 0.00 +0.210 HD ENDBRANCH 9 22 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.452 -1.740 -0.524 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 1.909 -3.163 -0.155 0.00 0.00 +0.231 C ATOM 26 O LIG 1 1.337 -4.174 -0.560 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 2.997 -3.266 0.659 0.00 0.00 -0.328 N ATOM 28 H LIG 1 3.510 -2.463 1.003 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 3.316 -4.191 0.917 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.417 -1.081 -1.524 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.673 -0.533 -0.886 0.00 0.00 -0.045 A ATOM 32 C LIG 1 4.919 -1.117 -1.139 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.073 -0.616 -0.529 0.00 0.00 +0.009 A ATOM 34 C LIG 1 6.016 0.483 0.343 0.00 0.00 -0.018 A ATOM 35 C LIG 1 4.761 1.067 0.580 0.00 0.00 +0.009 A ATOM 36 C LIG 1 3.605 0.569 -0.027 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 7.233 1.010 0.982 0.00 0.00 -0.018 A ATOM 38 C LIG 1 8.096 0.168 1.703 0.00 0.00 +0.008 A ATOM 39 C LIG 1 9.251 0.668 2.311 0.00 0.00 +0.001 A ATOM 40 C LIG 1 9.564 2.021 2.206 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.723 2.873 1.496 0.00 0.00 +0.001 A ATOM 42 C LIG 1 7.568 2.372 0.890 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 9