REMARK Name = BDB029649 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.009 -1.987 -0.054 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.261 -0.736 0.208 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.235 -0.746 -0.186 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -0.949 -1.867 0.450 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -0.133 -3.030 0.833 0.00 0.00 +0.120 C ATOM 6 C LIG 1 1.100 -3.154 -0.091 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.306 -1.806 0.710 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -3.170 -0.900 0.082 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.509 -0.786 0.288 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -5.062 -1.635 1.180 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.309 -2.576 1.869 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -2.933 -2.654 1.627 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -6.537 -1.562 1.447 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -7.373 -0.702 0.763 0.00 0.00 -0.307 N ATOM 15 H LIG 1 -8.334 -0.817 1.067 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -7.040 -2.291 2.306 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -7.062 0.230 -0.328 0.00 0.00 +0.079 C ATOM 18 C LIG 1 -6.521 1.606 0.126 0.00 0.00 +0.057 C ATOM 19 C LIG 1 -7.441 2.261 -0.938 0.00 0.00 +0.067 C ATOM 20 C LIG 1 -8.153 3.524 -0.479 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -8.306 0.976 -0.871 0.00 0.00 +0.057 C BRANCH 19 22 ATOM 22 O LIG 1 -6.822 2.504 -2.221 0.00 0.00 -0.389 OA ATOM 23 H LIG 1 -6.131 3.166 -2.050 0.00 0.00 +0.210 HD ENDBRANCH 19 22 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 2.813 -1.929 -1.284 0.00 0.00 +0.121 C BRANCH 24 34 ATOM 25 C LIG 1 8.188 1.536 -0.022 0.00 0.00 +0.019 A ATOM 26 C LIG 1 7.942 0.614 1.137 0.00 0.00 +0.252 A ATOM 27 O LIG 1 8.688 0.583 2.110 0.00 0.00 -0.268 OA ATOM 28 N LIG 1 6.841 -0.200 1.064 0.00 0.00 -0.321 N ATOM 29 H LIG 1 6.686 -0.811 1.853 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 5.967 -0.210 -0.029 0.00 0.00 +0.068 A ATOM 31 C LIG 1 6.198 0.635 -1.112 0.00 0.00 +0.088 A ATOM 32 N LIG 1 5.409 0.686 -2.206 0.00 0.00 -0.253 NA ATOM 33 C LIG 1 4.340 -0.146 -2.211 0.00 0.00 +0.116 A ATOM 34 C LIG 1 4.012 -1.019 -1.173 0.00 0.00 -0.013 A ATOM 35 C LIG 1 4.864 -1.052 -0.061 0.00 0.00 +0.034 A ATOM 36 C LIG 1 7.356 1.520 -1.079 0.00 0.00 +0.038 A BRANCH 25 38 ATOM 37 C LIG 1 9.183 3.631 0.947 0.00 0.00 +0.009 C ATOM 38 C LIG 1 9.401 2.421 0.048 0.00 0.00 +0.037 C ENDBRANCH 25 38 ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7