REMARK Name = BDB061932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.552 0.714 -0.116 0.00 0.00 +0.163 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -5.027 2.005 -1.291 0.00 0.00 +0.193 C ATOM 3 N LIG 1 -3.956 1.239 -0.622 0.00 0.00 -0.280 N ATOM 4 C LIG 1 -2.634 1.587 -0.799 0.00 0.00 +0.237 C ATOM 5 O LIG 1 -2.348 2.578 -1.479 0.00 0.00 -0.274 OA ATOM 6 C LIG 1 -4.498 0.144 0.184 0.00 0.00 +0.144 C ATOM 7 C LIG 1 -5.918 0.044 -0.269 0.00 0.00 -0.025 A ATOM 8 C LIG 1 -6.863 -0.916 0.050 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -8.137 -0.800 -0.512 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -8.448 0.266 -1.370 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -7.490 1.234 -1.681 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -6.227 1.111 -1.122 0.00 0.00 -0.014 A BRANCH 2 16 ATOM 13 C LIG 1 -4.279 5.651 -0.469 0.00 0.00 +0.128 C ATOM 14 N LIG 1 -4.364 4.365 -1.113 0.00 0.00 -0.317 N ATOM 15 H LIG 1 -3.511 4.008 -1.552 0.00 0.00 +0.148 HD ATOM 16 C LIG 1 -5.204 3.384 -0.603 0.00 0.00 +0.238 C ATOM 17 O LIG 1 -5.956 3.590 0.350 0.00 0.00 -0.273 OA ENDBRANCH 2 16 ENDBRANCH 1 4 BRANCH 1 18 ATOM 18 N LIG 1 -0.379 1.520 0.243 0.00 0.00 -0.303 N ATOM 19 H LIG 1 -0.279 1.779 1.217 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.575 1.947 -0.652 0.00 0.00 +0.227 C ATOM 21 O LIG 1 0.554 1.704 -1.857 0.00 0.00 -0.274 OA BRANCH 20 22 ATOM 22 C LIG 1 1.718 2.752 -0.010 0.00 0.00 +0.177 C BRANCH 22 23 ATOM 23 N LIG 1 3.023 2.351 -0.574 0.00 0.00 -0.305 NA ATOM 24 H LIG 1 2.879 2.305 -1.590 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.431 1.012 -0.125 0.00 0.00 +0.122 C BRANCH 25 26 ATOM 26 C LIG 1 4.097 0.992 1.259 0.00 0.00 +0.244 C BRANCH 26 27 ATOM 27 O LIG 1 4.455 -0.345 1.635 0.00 0.00 -0.491 OA BRANCH 27 28 ATOM 28 C LIG 1 5.636 -0.863 1.176 0.00 0.00 +0.121 A ATOM 29 C LIG 1 6.561 -0.216 0.356 0.00 0.00 +0.046 A ATOM 30 C LIG 1 7.727 -0.878 -0.053 0.00 0.00 +0.007 A ATOM 31 C LIG 1 7.990 -2.187 0.365 0.00 0.00 -0.050 A ATOM 32 C LIG 1 9.224 -2.908 -0.096 0.00 0.00 +0.044 C ATOM 33 C LIG 1 7.057 -2.837 1.181 0.00 0.00 +0.007 A ATOM 34 C LIG 1 5.892 -2.175 1.585 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 -1.253 -0.552 -0.945 0.00 0.00 +0.069 C BRANCH 35 36 ATOM 36 C LIG 1 -0.287 -1.502 -0.282 0.00 0.00 -0.017 A ATOM 37 C LIG 1 -0.461 -2.162 0.986 0.00 0.00 +0.003 A ATOM 38 C LIG 1 0.696 -2.901 1.235 0.00 0.00 +0.047 A ATOM 39 C LIG 1 0.888 -3.651 2.403 0.00 0.00 +0.026 A ATOM 40 C LIG 1 -0.143 -3.659 3.346 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -1.320 -2.949 3.124 0.00 0.00 +0.001 A ATOM 42 N LIG 1 1.524 -2.736 0.151 0.00 0.00 -0.358 N ATOM 43 H LIG 1 2.435 -3.164 0.059 0.00 0.00 +0.166 HD ATOM 44 C LIG 1 -1.490 -2.200 1.952 0.00 0.00 +0.010 A ATOM 45 C LIG 1 0.930 -1.935 -0.794 0.00 0.00 +0.017 A ATOM 46 C LIG 1 1.610 -1.675 -2.092 0.00 0.00 +0.063 C ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 11