REMARK Name = BDB018748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.255 -1.652 -0.410 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -1.925 -0.581 0.207 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -3.325 -0.525 0.238 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -4.047 0.572 0.974 0.00 0.00 +0.054 C ATOM 5 C LIG 1 -5.414 0.867 0.344 0.00 0.00 +0.069 C ATOM 6 C LIG 1 -5.284 1.551 -1.030 0.00 0.00 +0.132 C ATOM 7 N LIG 1 -6.305 2.642 -1.057 0.00 0.00 -0.268 N ATOM 8 C LIG 1 -7.126 2.547 0.173 0.00 0.00 +0.117 C ATOM 9 C LIG 1 -6.180 -0.446 0.176 0.00 0.00 +0.225 C ATOM 10 N LIG 1 -5.460 -1.516 -0.290 0.00 0.00 -0.285 N ATOM 11 H LIG 1 -5.999 -2.340 -0.531 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -7.391 -0.551 0.362 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -6.199 1.883 1.178 0.00 0.00 +0.037 C ATOM 14 C LIG 1 -4.065 -1.557 -0.343 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -3.425 -2.637 -0.942 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -2.029 -2.678 -0.981 0.00 0.00 +0.010 A ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 3.029 -1.798 -0.521 0.00 0.00 +0.037 A ATOM 18 C LIG 1 2.356 -0.692 -1.044 0.00 0.00 +0.013 A ATOM 19 C LIG 1 0.959 -0.644 -0.999 0.00 0.00 +0.009 A ATOM 20 C LIG 1 0.215 -1.703 -0.449 0.00 0.00 -0.018 A ATOM 21 C LIG 1 0.913 -2.817 0.050 0.00 0.00 +0.009 A ATOM 22 C LIG 1 2.309 -2.871 0.009 0.00 0.00 +0.013 A BRANCH 17 28 ATOM 23 C LIG 1 7.228 2.515 1.259 0.00 0.00 +0.105 C ATOM 24 N LIG 1 7.107 1.062 1.320 0.00 0.00 -0.302 NA ATOM 25 C LIG 1 5.813 0.633 1.885 0.00 0.00 +0.103 C ATOM 26 C LIG 1 4.758 0.188 0.853 0.00 0.00 +0.123 C ATOM 27 N LIG 1 5.266 -0.853 -0.050 0.00 0.00 -0.295 N ATOM 28 C LIG 1 4.506 -1.890 -0.578 0.00 0.00 +0.247 C ATOM 29 O LIG 1 4.997 -2.890 -1.097 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 6.722 -0.922 -0.192 0.00 0.00 +0.123 C ATOM 31 C LIG 1 7.373 0.458 -0.003 0.00 0.00 +0.103 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 7 32 ATOM 32 C LIG 1 -6.719 3.243 -2.181 0.00 0.00 +0.169 C ATOM 33 N LIG 1 -7.069 3.759 -3.156 0.00 0.00 -0.174 NA ENDBRANCH 7 32 TORSDOF 3