REMARK Name = BDB045170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.160 -0.618 -0.189 0.00 0.00 -0.042 A ATOM 2 C LIG 1 0.828 -0.941 0.117 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.225 -0.081 -0.223 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.033 1.120 -0.877 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.354 1.453 -1.177 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.407 0.596 -0.840 0.00 0.00 +0.007 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.623 -0.022 0.015 0.00 0.00 +0.403 C ATOM 8 N LIG 1 5.468 -0.747 -0.123 0.00 0.00 -0.266 N ATOM 9 C LIG 1 4.454 -0.920 0.902 0.00 0.00 +0.120 C ATOM 10 C LIG 1 3.265 -1.589 0.189 0.00 0.00 +0.052 C ATOM 11 C LIG 1 3.948 -2.324 -0.984 0.00 0.00 +0.124 C ATOM 12 C LIG 1 5.119 -1.420 -1.359 0.00 0.00 +0.126 C ATOM 13 O LIG 1 7.449 0.117 -0.877 0.00 0.00 -0.226 OA BRANCH 11 14 ATOM 14 C LIG 1 3.081 -2.655 -2.173 0.00 0.00 +0.310 C ATOM 15 O LIG 1 3.296 -2.281 -3.316 0.00 0.00 -0.251 OA BRANCH 14 16 ATOM 16 O LIG 1 2.061 -3.493 -1.878 0.00 0.00 -0.480 OA ATOM 17 H LIG 1 1.994 -3.744 -0.939 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 11 14 BRANCH 7 18 ATOM 18 O LIG 1 6.737 0.508 1.262 0.00 0.00 -0.451 OA BRANCH 18 20 ATOM 19 C LIG 1 9.056 0.401 1.948 0.00 0.00 +0.048 C ATOM 20 C LIG 1 7.913 1.294 1.502 0.00 0.00 +0.230 C ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 10 BRANCH 4 21 ATOM 21 O LIG 1 -0.889 2.053 -1.259 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.276 1.734 -1.120 0.00 0.00 +0.235 C BRANCH 22 23 ATOM 23 C LIG 1 -2.791 2.148 0.256 0.00 0.00 +0.100 C BRANCH 23 24 ATOM 24 C LIG 1 -4.223 1.808 0.437 0.00 0.00 +0.086 A ATOM 25 C LIG 1 -5.337 2.616 0.370 0.00 0.00 +0.126 A ATOM 26 C LIG 1 -5.574 4.047 0.117 0.00 0.00 +0.088 C ATOM 27 O LIG 1 -6.434 1.837 0.611 0.00 0.00 -0.440 OA ATOM 28 C LIG 1 -5.924 0.580 0.809 0.00 0.00 +0.228 A ATOM 29 N LIG 1 -4.608 0.515 0.712 0.00 0.00 -0.214 NA BRANCH 28 30 ATOM 30 C LIG 1 -6.883 -0.486 1.090 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -8.263 -0.243 1.163 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -9.158 -1.283 1.432 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.684 -2.578 1.633 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.317 -2.836 1.564 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.423 -1.796 1.294 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10