REMARK Name = BDB053066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.320 -2.826 0.246 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -1.568 -1.948 0.621 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -0.807 -1.085 -0.145 0.00 0.00 -0.257 N ATOM 4 C LIG 1 -0.021 -0.164 0.669 0.00 0.00 +0.192 C ATOM 5 C LIG 1 -0.395 -0.572 2.078 0.00 0.00 +0.019 A ATOM 6 C LIG 1 0.008 -0.060 3.303 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.518 -0.632 4.465 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.437 -1.696 4.397 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.846 -2.204 3.163 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -1.312 -1.622 2.029 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.398 1.307 0.409 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.723 1.758 0.593 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -2.076 3.088 0.347 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -1.109 3.991 -0.082 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -1.543 5.625 -0.394 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 0.207 3.578 -0.263 0.00 0.00 +0.020 A ATOM 17 C LIG 1 0.560 2.247 -0.018 0.00 0.00 +0.010 A ENDBRANCH 4 11 BRANCH 3 18 ATOM 18 C LIG 1 -0.792 -1.093 -1.596 0.00 0.00 +0.146 C BRANCH 18 19 ATOM 19 C LIG 1 -1.823 -0.179 -2.219 0.00 0.00 -0.030 A ATOM 20 C LIG 1 -3.194 -0.456 -2.094 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -4.148 0.401 -2.648 0.00 0.00 +0.033 A ATOM 22 C LIG 1 -3.728 1.543 -3.341 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -2.366 1.827 -3.488 0.00 0.00 +0.033 A ATOM 24 C LIG 1 -1.420 0.963 -2.930 0.00 0.00 +0.007 A BRANCH 22 25 ATOM 25 N LIG 1 -4.726 2.450 -3.919 0.00 0.00 +0.056 N ATOM 26 O LIG 1 -5.914 2.268 -3.616 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 -4.322 3.345 -4.675 0.00 0.00 -0.126 OA ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 3 18 BRANCH 4 28 ATOM 28 O LIG 1 1.371 -0.350 0.378 0.00 0.00 -0.344 OA BRANCH 28 29 ATOM 29 C LIG 1 1.989 -1.601 0.703 0.00 0.00 +0.122 C ATOM 30 C LIG 1 3.084 -1.341 1.745 0.00 0.00 +0.034 C ATOM 31 C LIG 1 4.204 -0.449 1.198 0.00 0.00 +0.034 C ATOM 32 C LIG 1 4.799 -1.008 -0.093 0.00 0.00 +0.115 C ATOM 33 C LIG 1 3.721 -1.301 -1.135 0.00 0.00 +0.034 C ATOM 34 C LIG 1 2.608 -2.189 -0.570 0.00 0.00 +0.034 C BRANCH 32 35 ATOM 35 O LIG 1 5.490 -2.222 0.193 0.00 0.00 -0.392 OA ATOM 36 H LIG 1 6.225 -2.007 0.793 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 7