REMARK Name = BDB011075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.099 0.430 -0.386 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -1.909 -0.556 0.144 0.00 0.00 +0.114 A ATOM 3 C LIG 1 -2.857 0.149 0.874 0.00 0.00 +0.182 A ATOM 4 N LIG 1 -3.817 -0.420 1.620 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -3.765 -1.751 1.599 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.924 -2.539 0.890 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -2.730 1.489 0.692 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -1.981 -1.945 0.122 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.691 1.644 -0.101 0.00 0.00 +0.125 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.781 -2.496 2.398 0.00 0.00 +0.212 A ATOM 11 N LIG 1 -4.728 -3.864 2.528 0.00 0.00 -0.194 N ATOM 12 H LIG 1 -4.505 -4.380 1.680 0.00 0.00 +0.209 HD ATOM 13 O LIG 1 -5.941 -4.191 3.144 0.00 0.00 -0.320 OA ATOM 14 C LIG 1 -6.532 -2.995 3.509 0.00 0.00 +0.461 A ATOM 15 O LIG 1 -7.571 -2.918 4.145 0.00 0.00 -0.219 OA ATOM 16 N LIG 1 -5.797 -1.945 3.006 0.00 0.00 -0.150 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.175 -2.840 -0.699 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -0.311 -3.771 -0.101 0.00 0.00 +0.030 A ATOM 19 C LIG 1 0.449 -4.639 -0.885 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 1.525 -5.748 -0.131 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 0.347 -4.610 -2.273 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.526 -3.711 -2.883 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.285 -2.837 -2.100 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 -1.313 3.069 -0.694 0.00 0.00 +0.071 C ATOM 25 C LIG 1 -2.497 3.982 -1.002 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -1.746 3.344 -2.127 0.00 0.00 +0.022 C BRANCH 24 27 ATOM 27 C LIG 1 -0.085 3.736 -0.085 0.00 0.00 +0.055 A ATOM 28 N LIG 1 -0.104 4.034 1.240 0.00 0.00 -0.259 NA ATOM 29 C LIG 1 0.965 4.648 1.792 0.00 0.00 +0.111 A ATOM 30 C LIG 1 2.096 5.001 1.083 0.00 0.00 +0.020 A ATOM 31 C LIG 1 2.130 4.702 -0.269 0.00 0.00 +0.003 A ATOM 32 C LIG 1 1.037 4.063 -0.855 0.00 0.00 +0.024 A ENDBRANCH 24 27 ENDBRANCH 9 24 BRANCH 1 33 ATOM 33 C LIG 1 0.133 0.248 -1.133 0.00 0.00 +0.127 C BRANCH 33 38 ATOM 34 C LIG 1 5.125 -0.178 1.251 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.276 0.137 0.018 0.00 0.00 -0.014 C ATOM 36 C LIG 1 3.197 1.189 0.329 0.00 0.00 +0.003 C ATOM 37 C LIG 1 1.872 0.560 0.749 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.292 -0.378 -0.328 0.00 0.00 +0.009 C ATOM 39 C LIG 1 2.375 -0.888 -1.298 0.00 0.00 +0.005 C ATOM 40 C LIG 1 3.683 -1.156 -0.566 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 6