REMARK Name = BDB024316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.766 0.737 0.026 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.911 2.185 -0.420 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.509 3.122 0.440 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.658 4.454 0.048 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.222 4.865 -1.209 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.646 3.944 -2.081 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.496 2.611 -1.693 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.636 0.165 -0.339 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.626 0.601 0.516 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.399 1.286 1.226 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.798 -0.591 -1.296 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.983 0.288 0.504 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.683 0.928 1.464 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 5.018 0.687 1.534 0.00 0.00 +0.123 A ATOM 15 C LIG 1 5.710 -0.174 0.691 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.954 -0.823 -0.286 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.578 -0.594 -0.384 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 7.147 -0.393 0.815 0.00 0.00 +0.114 A ATOM 19 N LIG 1 7.822 -1.234 0.010 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 9.084 -1.121 0.464 0.00 0.00 -0.186 N ATOM 21 C LIG 1 10.153 -1.891 -0.119 0.00 0.00 +0.197 C ATOM 22 N LIG 1 9.304 -0.298 1.504 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 8.074 0.173 1.726 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.846 -0.076 -0.575 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.577 -0.255 -1.546 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.028 -1.360 0.113 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.179 -2.416 -1.933 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.218 -2.206 -0.415 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.574 -1.689 0.046 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.368 -2.475 0.894 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.617 -2.022 1.329 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.105 -0.774 0.921 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -6.311 0.017 0.080 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.063 -0.438 -0.355 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -8.441 -0.274 1.409 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -9.060 0.556 0.523 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -9.330 -1.276 1.658 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.339 0.430 2.571 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9