REMARK Name = BDB024352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.483 -0.257 0.090 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.747 -1.731 -0.164 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -1.292 -2.303 -1.358 0.00 0.00 +0.129 A ATOM 4 F LIG 1 -0.642 -1.539 -2.250 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -1.480 -3.652 -1.645 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.134 -4.465 -0.723 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.588 -3.923 0.479 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.393 -2.567 0.760 0.00 0.00 +0.008 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.942 -0.071 -0.225 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.718 -0.270 -1.194 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.068 -0.060 0.711 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.077 0.104 1.923 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 5.064 0.386 0.109 0.00 0.00 +0.003 A ATOM 14 C LIG 1 4.374 0.141 -1.073 0.00 0.00 +0.121 A ATOM 15 N LIG 1 3.027 -0.006 -1.166 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.311 0.093 -0.028 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.903 0.340 1.201 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.292 0.488 1.267 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.900 0.070 -0.981 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.642 0.384 -0.348 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.634 1.106 0.785 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.337 1.197 1.089 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.505 0.539 0.151 0.00 0.00 +0.021 A ATOM 24 C LIG 1 7.394 0.020 -0.769 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.506 0.345 0.986 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.167 0.187 1.942 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.651 1.795 0.799 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.497 2.194 -0.424 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.955 1.814 -0.303 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.390 0.537 -0.685 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.734 0.179 -0.563 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.660 1.095 -0.056 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -7.234 2.369 0.330 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.888 2.725 0.209 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -9.040 0.728 0.070 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -10.158 0.433 0.172 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9