REMARK Name = BDB034509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.111 0.662 0.093 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.627 0.382 -1.177 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.088 0.708 -2.252 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.392 -0.390 -0.999 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.127 -0.475 0.364 0.00 0.00 -0.015 A ATOM 6 C LIG 1 2.006 -1.150 0.812 0.00 0.00 +0.051 A ATOM 7 C LIG 1 1.148 -1.736 -0.131 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.439 -1.647 -1.506 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.574 -0.960 -1.953 0.00 0.00 +0.017 A ATOM 10 C LIG 1 4.174 0.255 1.133 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.836 4.699 -0.333 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.057 3.760 -0.194 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.705 3.973 -0.095 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.401 4.933 -0.176 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.723 3.054 0.198 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.568 3.425 0.406 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.191 1.601 0.372 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.457 1.344 -0.444 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.533 2.336 -0.032 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 0.072 -2.376 0.421 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.034 -2.760 -0.422 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.334 -2.663 0.456 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -3.302 -3.822 0.153 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -2.666 -5.189 0.410 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -1.174 -5.239 0.095 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.781 -4.190 -0.938 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.117 -1.410 0.458 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -2.318 -0.185 0.633 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -3.273 0.511 -0.381 0.00 0.00 +0.020 C ATOM 30 C LIG 1 -3.570 -0.940 -0.862 0.00 0.00 +0.090 C BRANCH 29 31 ATOM 31 C LIG 1 -4.451 1.309 0.203 0.00 0.00 -0.005 C ATOM 32 C LIG 1 -5.479 1.609 -0.906 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -6.312 2.870 -0.660 0.00 0.00 +0.076 C ATOM 34 C LIG 1 -6.422 3.197 0.816 0.00 0.00 +0.249 C ATOM 35 F LIG 1 -7.057 2.175 1.447 0.00 0.00 -0.206 F ATOM 36 F LIG 1 -7.203 4.292 0.989 0.00 0.00 -0.206 F ATOM 37 C LIG 1 -5.068 3.433 1.469 0.00 0.00 +0.076 C ATOM 38 C LIG 1 -3.942 2.609 0.838 0.00 0.00 +0.009 C ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5