REMARK Name = BDB021205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.113 0.547 0.340 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.283 0.913 1.440 0.00 0.00 +0.151 A ATOM 3 N LIG 1 1.081 0.929 1.220 0.00 0.00 -0.270 N ATOM 4 C LIG 1 1.678 1.290 2.407 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.637 1.487 3.286 0.00 0.00 +0.159 A ATOM 6 C LIG 1 1.662 0.604 -0.023 0.00 0.00 +0.202 A ATOM 7 N LIG 1 0.889 0.250 -1.013 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.573 1.252 2.683 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.473 0.226 -0.805 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -5.396 0.315 0.539 0.00 0.00 +0.107 A ATOM 11 C LIG 1 -4.785 0.970 -0.522 0.00 0.00 +0.139 A ATOM 12 F LIG 1 -5.516 1.524 -1.500 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.394 1.049 -0.600 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -2.592 0.466 0.396 0.00 0.00 -0.007 A ATOM 15 C LIG 1 -3.224 -0.177 1.473 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -4.615 -0.247 1.540 0.00 0.00 +0.139 A ATOM 17 F LIG 1 -5.179 -0.890 2.572 0.00 0.00 -0.205 F BRANCH 10 20 ATOM 18 C LIG 1 -8.996 -0.643 -0.111 0.00 0.00 +0.132 C ATOM 19 N LIG 1 -7.544 -0.698 -0.098 0.00 0.00 -0.303 N ATOM 20 C LIG 1 -6.854 0.268 0.633 0.00 0.00 +0.252 C ATOM 21 O LIG 1 -7.390 1.104 1.356 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 -6.928 -1.631 -1.030 0.00 0.00 +0.132 C ENDBRANCH 10 20 ENDBRANCH 1 14 BRANCH 5 23 ATOM 23 C LIG 1 0.732 1.874 4.662 0.00 0.00 +0.121 C ATOM 24 N LIG 1 0.853 2.186 5.774 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 3.033 0.664 -0.148 0.00 0.00 -0.310 N ATOM 26 H LIG 1 3.530 1.272 0.493 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 3.670 0.579 -1.451 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 5.153 0.433 -1.272 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.734 -0.747 -0.817 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.103 -2.019 -0.388 0.00 0.00 +0.080 C ATOM 31 C LIG 1 6.348 -2.903 -0.325 0.00 0.00 +0.234 C ATOM 32 O LIG 1 7.514 -2.064 -0.156 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 7.106 -0.844 -0.628 0.00 0.00 +0.124 A ATOM 34 C LIG 1 7.960 0.212 -0.875 0.00 0.00 +0.049 A ATOM 35 C LIG 1 7.402 1.403 -1.339 0.00 0.00 +0.042 A ATOM 36 C LIG 1 6.017 1.504 -1.531 0.00 0.00 +0.129 A ATOM 37 F LIG 1 5.516 2.672 -1.957 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6