REMARK Name = BDB035355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.250 -2.202 1.484 0.00 0.00 -0.311 N ATOM 2 C LIG 1 3.068 -1.133 1.879 0.00 0.00 +0.255 A ATOM 3 O LIG 1 4.119 -1.280 2.499 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 2.595 0.247 1.503 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.437 0.396 0.832 0.00 0.00 +0.034 A ATOM 6 C LIG 1 0.669 -0.750 0.444 0.00 0.00 +0.056 A ATOM 7 N LIG 1 -0.504 -0.778 -0.282 0.00 0.00 -0.268 N ATOM 8 C LIG 1 -0.922 -2.188 -0.421 0.00 0.00 +0.120 C ATOM 9 C LIG 1 0.155 -3.029 0.272 0.00 0.00 +0.075 C ATOM 10 C LIG 1 -1.251 0.316 -0.693 0.00 0.00 +0.241 C ATOM 11 O LIG 1 -0.999 1.482 -0.365 0.00 0.00 -0.273 OA ATOM 12 C LIG 1 1.089 -1.978 0.770 0.00 0.00 +0.045 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.627 -4.109 0.725 0.00 0.00 +0.027 C ATOM 14 C LIG 1 2.698 -3.557 1.796 0.00 0.00 +0.122 C ENDBRANCH 1 14 BRANCH 4 15 ATOM 15 C LIG 1 3.446 1.409 1.943 0.00 0.00 +0.078 C BRANCH 15 16 ATOM 16 C LIG 1 4.711 1.589 1.134 0.00 0.00 -0.008 A ATOM 17 C LIG 1 5.957 1.642 1.774 0.00 0.00 +0.130 A ATOM 18 F LIG 1 6.030 1.544 3.109 0.00 0.00 -0.205 F ATOM 19 C LIG 1 7.136 1.813 1.058 0.00 0.00 +0.077 A ATOM 20 C LIG 1 7.071 1.943 -0.321 0.00 0.00 +0.126 A ATOM 21 F LIG 1 8.199 2.111 -1.023 0.00 0.00 -0.205 F ATOM 22 C LIG 1 5.850 1.913 -0.988 0.00 0.00 +0.039 A ATOM 23 C LIG 1 4.670 1.740 -0.262 0.00 0.00 +0.009 A ENDBRANCH 15 16 ENDBRANCH 4 15 BRANCH 10 24 ATOM 24 C LIG 1 -2.472 0.050 -1.619 0.00 0.00 +0.165 C BRANCH 24 25 ATOM 25 C LIG 1 -2.204 0.419 -3.114 0.00 0.00 -0.011 C ATOM 26 C LIG 1 -1.837 1.902 -3.318 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -3.474 0.120 -3.942 0.00 0.00 +0.013 C ATOM 28 C LIG 1 -1.060 -0.443 -3.684 0.00 0.00 +0.013 C ENDBRANCH 24 25 BRANCH 24 29 ATOM 29 N LIG 1 -3.568 0.838 -1.044 0.00 0.00 -0.302 N ATOM 30 H LIG 1 -3.373 1.830 -0.970 0.00 0.00 +0.150 HD ATOM 31 C LIG 1 -4.359 0.294 -0.051 0.00 0.00 +0.230 C ATOM 32 O LIG 1 -4.319 -0.907 0.222 0.00 0.00 -0.274 OA BRANCH 31 33 ATOM 33 C LIG 1 -5.366 1.269 0.624 0.00 0.00 +0.137 C ATOM 34 C LIG 1 -4.789 2.648 0.938 0.00 0.00 +0.034 C BRANCH 33 35 ATOM 35 N LIG 1 -5.978 0.624 1.814 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -6.208 -0.336 1.540 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -5.089 0.549 2.970 0.00 0.00 +0.101 C ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 24 29 ENDBRANCH 10 24 TORSDOF 8