REMARK Name = BDB046895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.408 -2.104 -1.610 0.00 0.00 +0.053 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 4.450 -0.540 -0.208 0.00 0.00 -0.220 N ATOM 3 N LIG 1 3.582 0.491 -0.045 0.00 0.00 -0.173 NA ATOM 4 C LIG 1 2.418 0.042 -0.513 0.00 0.00 +0.138 A ATOM 5 C LIG 1 2.490 -1.278 -0.999 0.00 0.00 -0.008 A ATOM 6 C LIG 1 3.807 -1.623 -0.790 0.00 0.00 +0.120 A BRANCH 2 11 ATOM 7 O LIG 1 9.673 1.593 1.978 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 8.485 1.630 1.679 0.00 0.00 +0.259 A ATOM 9 C LIG 1 7.798 0.480 1.061 0.00 0.00 +0.070 A ATOM 10 C LIG 1 6.435 0.610 0.751 0.00 0.00 +0.122 A ATOM 11 C LIG 1 5.838 -0.517 0.166 0.00 0.00 +0.180 A ATOM 12 N LIG 1 6.535 -1.677 -0.091 0.00 0.00 -0.234 NA ATOM 13 C LIG 1 7.841 -1.734 0.231 0.00 0.00 +0.114 A ATOM 14 N LIG 1 5.757 1.815 1.029 0.00 0.00 -0.233 NA ATOM 15 C LIG 1 6.397 2.789 1.569 0.00 0.00 +0.200 A ATOM 16 C LIG 1 8.518 -0.686 0.808 0.00 0.00 +0.035 A ATOM 17 N LIG 1 7.716 2.739 1.898 0.00 0.00 -0.313 N ATOM 18 H LIG 1 8.175 3.533 2.321 0.00 0.00 +0.170 HD ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 0.199 -2.345 -0.685 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 -0.636 -1.156 -0.433 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 -1.289 -0.657 -1.656 0.00 0.00 +0.084 C ATOM 22 C LIG 1 -2.556 0.173 -1.393 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -2.455 0.921 -0.061 0.00 0.00 -0.004 C ATOM 24 C LIG 1 -2.254 -0.084 1.089 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -1.608 -1.400 0.633 0.00 0.00 +0.084 C BRANCH 23 26 ATOM 26 C LIG 1 -3.593 1.930 0.188 0.00 0.00 +0.038 C BRANCH 26 27 ATOM 27 C LIG 1 -5.000 1.379 0.210 0.00 0.00 -0.047 A ATOM 28 C LIG 1 -5.726 1.228 -0.978 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.027 0.722 -0.959 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.631 0.354 0.252 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -6.912 0.523 1.443 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -5.611 1.030 1.421 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 -9.044 -0.172 0.276 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -9.380 -0.856 -0.854 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -9.967 0.822 0.399 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -9.279 -1.030 1.309 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7