REMARK Name = BDB000298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.054 -0.363 0.576 0.00 0.00 -0.011 A ATOM 2 C LIG 1 1.023 0.213 -0.194 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.314 -0.205 -0.085 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -1.360 0.356 -0.871 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -2.682 -0.047 -0.674 0.00 0.00 +0.268 C ATOM 6 C LIG 1 -2.938 -0.972 0.548 0.00 0.00 +0.208 C ATOM 7 O LIG 1 -1.844 -1.748 1.035 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 -3.345 -0.043 1.712 0.00 0.00 +0.071 C ATOM 9 O LIG 1 -3.608 0.373 -1.373 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.601 -1.226 0.826 0.00 0.00 +0.144 A ATOM 11 C LIG 1 0.408 -1.818 1.590 0.00 0.00 +0.048 A ATOM 12 C LIG 1 1.726 -1.385 1.473 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -4.018 -2.009 0.181 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.661 -3.107 -0.632 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -4.608 -4.058 -1.001 0.00 0.00 +0.159 A ATOM 16 F LIG 1 -4.235 -5.093 -1.767 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -5.923 -3.938 -0.581 0.00 0.00 +0.158 A ATOM 18 F LIG 1 -6.835 -4.854 -0.935 0.00 0.00 -0.202 F ATOM 19 C LIG 1 -6.308 -2.863 0.211 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -5.362 -1.902 0.587 0.00 0.00 +0.011 A ENDBRANCH 6 13 BRANCH 1 22 ATOM 21 C LIG 1 4.453 -0.628 -0.164 0.00 0.00 +0.056 A ATOM 22 C LIG 1 3.439 0.115 0.443 0.00 0.00 +0.043 A ATOM 23 C LIG 1 3.837 1.371 0.904 0.00 0.00 +0.129 A ATOM 24 N LIG 1 5.084 1.848 0.786 0.00 0.00 -0.199 NA ATOM 25 C LIG 1 5.975 1.058 0.191 0.00 0.00 +0.214 A ATOM 26 N LIG 1 5.721 -0.167 -0.266 0.00 0.00 -0.219 NA BRANCH 23 27 ATOM 27 N LIG 1 2.929 2.254 1.502 0.00 0.00 -0.343 N ATOM 28 H LIG 1 3.451 3.077 1.793 0.00 0.00 +0.144 HD ATOM 29 H LIG 1 2.438 1.820 2.276 0.00 0.00 +0.144 HD ENDBRANCH 23 27 BRANCH 25 30 ATOM 30 N LIG 1 7.268 1.520 0.079 0.00 0.00 -0.327 N ATOM 31 H LIG 1 7.452 2.219 0.785 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 7.908 0.742 0.009 0.00 0.00 +0.145 HD ENDBRANCH 25 30 BRANCH 21 34 ATOM 33 C LIG 1 5.299 -2.561 -1.616 0.00 0.00 +0.010 C ATOM 34 C LIG 1 4.184 -2.006 -0.736 0.00 0.00 +0.053 C ENDBRANCH 21 34 ENDBRANCH 1 22 BRANCH 4 35 ATOM 35 C LIG 1 -1.106 1.330 -1.935 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 C LIG 1 -1.471 2.766 -1.546 0.00 0.00 +0.047 C BRANCH 36 37 ATOM 37 C LIG 1 -0.588 3.345 -0.445 0.00 0.00 +0.161 C BRANCH 37 38 ATOM 38 O LIG 1 -0.879 4.726 -0.223 0.00 0.00 -0.383 OA ATOM 39 C LIG 1 -2.030 4.935 0.585 0.00 0.00 +0.193 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 9