REMARK Name = BDB021202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.087 0.044 -0.127 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.384 -1.191 -0.222 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -0.979 -1.156 0.006 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.448 -2.441 -0.152 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.336 -3.193 -0.455 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.674 0.030 0.319 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.017 1.155 0.381 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.794 -2.415 -0.497 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.343 1.135 0.157 0.00 0.00 +0.126 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 5.314 0.398 -0.794 0.00 0.00 +0.075 A ATOM 11 C LIG 1 4.745 0.962 0.342 0.00 0.00 +0.171 A ATOM 12 F LIG 1 5.501 1.615 1.238 0.00 0.00 -0.202 F ATOM 13 C LIG 1 3.375 0.849 0.562 0.00 0.00 +0.167 A ATOM 14 F LIG 1 2.856 1.379 1.681 0.00 0.00 -0.202 F ATOM 15 C LIG 1 2.543 0.190 -0.356 0.00 0.00 +0.025 A ATOM 16 C LIG 1 3.130 -0.363 -1.507 0.00 0.00 +0.012 A ATOM 17 C LIG 1 4.505 -0.251 -1.733 0.00 0.00 +0.017 A BRANCH 10 20 ATOM 18 C LIG 1 7.370 -0.805 0.976 0.00 0.00 +0.132 C ATOM 19 N LIG 1 7.683 0.029 -0.177 0.00 0.00 -0.304 N ATOM 20 C LIG 1 6.752 0.543 -1.074 0.00 0.00 +0.249 C ATOM 21 O LIG 1 7.051 1.109 -2.123 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 9.090 0.324 -0.388 0.00 0.00 +0.132 C ENDBRANCH 10 20 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 C LIG 1 -0.289 -4.601 -0.714 0.00 0.00 +0.121 C ATOM 24 N LIG 1 -0.287 -5.744 -0.919 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 -3.033 -0.039 0.541 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -3.408 -0.932 0.840 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.755 1.089 1.107 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -5.231 0.838 0.999 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -5.912 0.924 -0.212 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.405 1.211 -1.575 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -6.737 1.431 -2.293 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -7.786 0.762 -1.555 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -7.272 0.652 -0.289 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.014 0.281 0.814 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -7.354 0.194 2.040 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.982 0.468 2.122 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -5.378 0.350 3.313 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6