REMARK Name = BDB024843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.263 -1.495 -0.150 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.338 -0.710 0.560 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.879 0.472 1.263 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.710 0.063 2.491 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.825 1.491 1.725 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.716 1.614 0.702 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.084 0.259 0.569 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.688 0.087 0.485 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.693 1.035 0.519 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.443 0.381 0.389 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.214 -0.978 0.322 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.147 -1.187 0.362 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.940 -2.334 0.312 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.328 -2.153 0.384 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.915 -0.883 0.493 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -7.480 -1.339 -0.079 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.639 -3.164 -1.762 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.703 -2.411 -0.991 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.231 -2.015 0.314 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 1.854 -2.230 -1.050 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.075 -2.875 -1.003 0.00 0.00 -0.308 N ATOM 22 H LIG 1 3.574 -2.942 -0.125 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.330 -1.893 -2.107 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.892 -3.008 -2.195 0.00 0.00 +0.159 C BRANCH 24 25 ATOM 25 C LIG 1 4.880 -1.871 -2.295 0.00 0.00 +0.061 A ATOM 26 N LIG 1 6.038 -1.998 -1.605 0.00 0.00 -0.239 NA ATOM 27 C LIG 1 6.890 -0.962 -1.683 0.00 0.00 +0.221 A ATOM 28 N LIG 1 6.689 0.179 -2.356 0.00 0.00 -0.244 NA ATOM 29 C LIG 1 5.513 0.270 -3.004 0.00 0.00 +0.114 A ATOM 30 C LIG 1 4.564 -0.728 -3.005 0.00 0.00 +0.044 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 1.805 0.997 0.348 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 1.753 2.508 0.102 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 3.093 3.102 0.131 0.00 0.00 -0.315 N ATOM 34 C LIG 1 3.869 3.052 -1.028 0.00 0.00 +0.251 A ATOM 35 O LIG 1 3.504 2.562 -2.094 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 5.236 3.631 -0.921 0.00 0.00 +0.070 A ATOM 37 C LIG 1 5.663 4.146 0.239 0.00 0.00 +0.007 A ATOM 38 C LIG 1 4.806 4.148 1.397 0.00 0.00 +0.018 A ATOM 39 C LIG 1 3.572 3.635 1.317 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8