REMARK Name = BDB038431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.388 -1.154 -0.153 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.574 -0.821 0.789 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.464 -0.307 1.886 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.870 -1.213 0.219 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.131 -1.088 0.771 0.00 0.00 +0.019 A ATOM 6 C LIG 1 4.227 -1.535 0.018 0.00 0.00 -0.021 A ATOM 7 C LIG 1 4.010 -2.110 -1.257 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.717 -2.231 -1.806 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.652 -1.768 -1.038 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.186 -1.762 -1.342 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.767 -0.272 1.067 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -2.382 -0.415 1.052 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -1.781 -0.979 -0.061 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.511 -1.389 -1.127 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 -3.864 -1.274 -1.123 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.511 -0.716 -0.026 0.00 0.00 +0.033 A BRANCH 11 18 ATOM 17 C LIG 1 -5.199 1.456 2.391 0.00 0.00 +0.064 A ATOM 18 C LIG 1 -4.452 0.301 2.220 0.00 0.00 +0.079 A ATOM 19 N LIG 1 -4.604 -0.392 3.409 0.00 0.00 -0.266 N ATOM 20 C LIG 1 -4.035 -1.676 3.756 0.00 0.00 +0.173 C ATOM 21 N LIG 1 -5.423 0.208 4.291 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -5.796 1.322 3.663 0.00 0.00 +0.146 A BRANCH 17 25 ATOM 23 C LIG 1 -3.559 2.680 -0.228 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -4.812 3.107 0.328 0.00 0.00 -0.316 N ATOM 25 C LIG 1 -5.452 2.683 1.463 0.00 0.00 +0.167 A ATOM 26 N LIG 1 -6.416 3.547 1.731 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -6.465 4.482 0.729 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -5.494 4.207 -0.105 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 BRANCH 15 29 ATOM 29 C LIG 1 -4.591 -1.770 -2.358 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -5.813 -1.065 -2.898 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -5.948 -2.427 -2.276 0.00 0.00 +0.010 C ENDBRANCH 15 29 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 2.486 -2.838 -3.165 0.00 0.00 +0.418 C ATOM 33 F LIG 1 1.862 -1.976 -4.013 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.698 -3.945 -3.108 0.00 0.00 -0.166 F ATOM 35 F LIG 1 3.631 -3.220 -3.792 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.627 -1.441 0.582 0.00 0.00 +0.195 C BRANCH 36 37 ATOM 37 O LIG 1 5.859 -0.175 1.201 0.00 0.00 -0.369 OA BRANCH 37 38 ATOM 38 C LIG 1 6.168 0.869 0.280 0.00 0.00 +0.147 C ATOM 39 C LIG 1 7.635 0.836 -0.165 0.00 0.00 +0.143 C ATOM 40 C LIG 1 7.870 2.248 -0.680 0.00 0.00 +0.034 C ATOM 41 C LIG 1 6.996 3.148 0.201 0.00 0.00 +0.005 C ATOM 42 C LIG 1 6.064 2.221 0.980 0.00 0.00 +0.034 C BRANCH 39 43 ATOM 43 O LIG 1 8.499 0.585 0.943 0.00 0.00 -0.389 OA ATOM 44 H LIG 1 7.967 0.096 1.602 0.00 0.00 +0.210 HD ENDBRANCH 39 43 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9