REMARK Name = BDB027208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.276 -0.692 -0.170 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.783 -0.180 0.591 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.904 -0.995 0.840 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.950 -2.300 0.351 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -0.930 -2.809 -0.377 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.135 -2.007 -0.619 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.094 -3.211 0.571 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.397 -4.215 -0.370 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.471 -5.081 -0.177 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.731 -6.021 -1.096 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.265 -4.972 0.954 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.298 -5.806 1.140 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.994 -4.000 1.906 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.915 -3.127 1.716 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 3.833 0.530 0.057 0.00 0.00 +0.056 C ATOM 16 C LIG 1 2.524 -0.182 0.501 0.00 0.00 +0.129 C ATOM 17 N LIG 1 1.406 0.096 -0.433 0.00 0.00 -0.327 N ATOM 18 C LIG 1 1.775 0.236 -1.858 0.00 0.00 +0.105 C ATOM 19 C LIG 1 3.080 -0.480 -2.190 0.00 0.00 +0.021 C ATOM 20 C LIG 1 4.260 -0.022 -1.325 0.00 0.00 +0.027 C BRANCH 15 21 ATOM 21 N LIG 1 3.636 2.001 -0.084 0.00 0.00 -0.322 NA ATOM 22 H LIG 1 4.565 2.412 -0.218 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.302 2.382 0.799 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 4.941 0.273 1.112 0.00 0.00 +0.182 C BRANCH 24 26 ATOM 25 C LIG 1 7.193 0.734 1.659 0.00 0.00 +0.194 C ATOM 26 O LIG 1 6.140 0.960 0.731 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 27 ATOM 27 C LIG 1 -0.781 1.240 1.101 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -1.389 2.150 0.152 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -2.716 2.472 0.076 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -2.792 3.412 -0.940 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -4.070 3.916 -1.237 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -5.129 3.447 -0.538 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 -4.901 2.535 0.433 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -1.545 3.663 -1.475 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 -3.729 1.989 0.817 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -0.725 2.896 -0.786 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -4.303 4.861 -2.228 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -5.255 4.827 -2.567 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -3.559 4.907 -2.916 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8