REMARK Name = BDB024392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.577 -1.359 -0.172 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.652 -2.666 -0.900 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.149 -2.913 -2.167 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -1.990 -4.251 -2.388 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -2.344 -4.985 -3.579 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -1.424 -4.898 -1.356 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -1.229 -3.940 -0.448 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.129 -1.115 0.356 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.754 -0.834 -0.673 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.434 -0.894 -1.630 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.170 -1.145 1.548 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.115 -0.546 -0.597 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.680 -0.351 -1.806 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.008 -0.069 -1.836 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.819 0.037 -0.712 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.203 -0.167 0.522 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.836 -0.457 0.584 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.236 0.331 -0.803 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.832 1.076 -1.797 0.00 0.00 +0.122 A ATOM 20 N LIG 1 8.172 1.120 -1.504 0.00 0.00 -0.211 N ATOM 21 N LIG 1 8.485 0.444 -0.372 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 7.308 -0.025 0.049 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 9.201 1.798 -2.285 0.00 0.00 +0.464 C ATOM 24 F LIG 1 8.973 3.139 -2.334 0.00 0.00 -0.183 F ATOM 25 F LIG 1 9.200 1.360 -3.575 0.00 0.00 -0.183 F ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.578 -1.403 0.908 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.451 -1.790 0.556 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.804 -0.099 1.545 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.330 0.836 -0.296 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.173 0.540 1.201 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.405 1.794 2.033 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.397 1.796 3.025 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.625 2.933 3.805 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.863 4.086 3.604 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -3.871 4.095 2.622 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -3.643 2.957 1.844 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.098 5.254 4.400 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.293 6.202 5.041 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10