REMARK Name = BDB056586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.856 -0.141 -0.277 0.00 0.00 +0.125 A ATOM 2 N LIG 1 -0.423 0.299 -1.472 0.00 0.00 -0.239 NA ATOM 3 C LIG 1 -1.283 0.893 -2.330 0.00 0.00 +0.123 A ATOM 4 C LIG 1 -2.632 1.051 -2.001 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -3.734 1.607 -2.682 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.862 1.432 -1.906 0.00 0.00 +0.064 A ATOM 7 N LIG 1 -4.470 0.895 -0.674 0.00 0.00 -0.245 N ATOM 8 C LIG 1 -5.283 0.766 0.476 0.00 0.00 +0.421 C ATOM 9 O LIG 1 -6.313 1.405 0.609 0.00 0.00 -0.223 OA ATOM 10 C LIG 1 -3.098 0.582 -0.771 0.00 0.00 +0.065 A ATOM 11 C LIG 1 -2.190 -0.021 0.119 0.00 0.00 +0.070 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -6.300 1.761 -2.451 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -6.542 2.364 -3.668 0.00 0.00 +0.118 A ATOM 14 N LIG 1 -7.897 2.455 -3.791 0.00 0.00 -0.274 N ATOM 15 C LIG 1 -8.635 3.027 -4.890 0.00 0.00 +0.172 C ATOM 16 N LIG 1 -8.563 1.928 -2.752 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -7.588 1.511 -1.935 0.00 0.00 +0.144 A ENDBRANCH 6 12 BRANCH 1 18 ATOM 18 N LIG 1 0.033 -0.764 0.632 0.00 0.00 -0.298 N ATOM 19 H LIG 1 -0.076 -0.354 1.556 0.00 0.00 +0.154 HD BRANCH 18 24 ATOM 20 C LIG 1 4.032 -2.018 0.048 0.00 0.00 +0.038 A ATOM 21 C LIG 1 3.613 -1.601 1.312 0.00 0.00 +0.035 A ATOM 22 C LIG 1 2.295 -1.177 1.486 0.00 0.00 +0.063 A ATOM 23 CL LIG 1 1.810 -0.656 3.066 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 1.377 -1.155 0.413 0.00 0.00 +0.051 A ATOM 25 C LIG 1 1.816 -1.629 -0.832 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.133 -2.058 -1.018 0.00 0.00 +0.015 A BRANCH 20 31 ATOM 27 C LIG 1 8.579 0.052 1.024 0.00 0.00 +0.121 C ATOM 28 C LIG 1 8.841 -1.435 0.750 0.00 0.00 +0.050 C ATOM 29 C LIG 1 7.823 -2.071 -0.193 0.00 0.00 +0.110 C ATOM 30 N LIG 1 6.467 -1.596 0.056 0.00 0.00 -0.297 N ATOM 31 C LIG 1 5.416 -2.491 -0.162 0.00 0.00 +0.247 C ATOM 32 O LIG 1 5.567 -3.656 -0.519 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 6.270 -0.144 0.088 0.00 0.00 +0.110 C ATOM 34 C LIG 1 7.577 0.636 0.033 0.00 0.00 +0.050 C BRANCH 27 36 ATOM 35 C LIG 1 10.645 0.649 2.048 0.00 0.00 +0.194 C ATOM 36 O LIG 1 9.786 0.815 0.926 0.00 0.00 -0.380 OA ENDBRANCH 27 36 ENDBRANCH 20 31 ENDBRANCH 18 24 ENDBRANCH 1 18 BRANCH 8 37 ATOM 37 O LIG 1 -4.753 -0.120 1.353 0.00 0.00 -0.442 OA BRANCH 37 38 ATOM 38 C LIG 1 -5.434 -0.419 2.599 0.00 0.00 +0.107 C ATOM 39 C LIG 1 -6.808 -1.047 2.345 0.00 0.00 +0.055 C ATOM 40 C LIG 1 -4.540 -1.458 3.294 0.00 0.00 +0.055 C ATOM 41 C LIG 1 -5.526 0.823 3.492 0.00 0.00 +0.055 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 7