REMARK Name = BDB021210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.079 -0.669 0.281 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.586 -0.763 -0.976 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.968 -0.722 -0.956 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -2.394 -0.797 -2.263 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.243 -0.900 -3.010 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -2.717 -0.610 0.234 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.091 -0.526 1.376 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.130 -0.884 -2.209 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.713 -0.567 1.370 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.360 -0.804 0.780 0.00 0.00 -0.033 A ATOM 11 C LIG 1 3.607 0.208 1.389 0.00 0.00 +0.005 A ATOM 12 C LIG 1 2.218 0.257 1.227 0.00 0.00 +0.009 A ATOM 13 C LIG 1 1.549 -0.711 0.463 0.00 0.00 -0.013 A ATOM 14 C LIG 1 2.305 -1.719 -0.149 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.693 -1.770 0.014 0.00 0.00 +0.005 A BRANCH 10 16 ATOM 16 C LIG 1 5.862 -0.869 0.975 0.00 0.00 +0.119 C BRANCH 16 19 ATOM 17 C LIG 1 8.067 0.529 -0.416 0.00 0.00 +0.146 C ATOM 18 C LIG 1 8.058 -0.972 -0.053 0.00 0.00 +0.117 C ATOM 19 N LIG 1 6.597 -1.028 -0.291 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 6.679 0.250 -1.035 0.00 0.00 +0.117 C BRANCH 17 22 ATOM 21 C LIG 1 9.023 2.304 -1.767 0.00 0.00 +0.194 C ATOM 22 O LIG 1 9.123 0.965 -1.303 0.00 0.00 -0.377 OA ENDBRANCH 17 22 ENDBRANCH 16 19 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 5 23 ATOM 23 C LIG 1 -1.145 -1.005 -4.434 0.00 0.00 +0.121 C ATOM 24 N LIG 1 -1.112 -1.091 -5.592 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 -4.093 -0.588 0.150 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -4.512 -1.016 -0.667 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.916 -0.722 1.340 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -6.344 -0.412 0.995 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.779 0.882 0.724 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.016 2.153 0.664 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.184 3.139 0.621 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.358 2.458 0.122 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -8.099 1.136 0.375 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -9.041 0.133 0.275 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -8.630 -1.172 0.548 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -7.299 -1.432 0.901 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -6.938 -2.702 1.136 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 8