REMARK Name = BDB047882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.425 -1.309 -5.649 0.00 0.00 +0.090 C ATOM 2 C LIG 1 1.354 -1.104 -4.520 0.00 0.00 +0.147 A ATOM 3 C LIG 1 1.209 -0.625 -3.233 0.00 0.00 +0.106 A ATOM 4 C LIG 1 2.523 -0.744 -2.684 0.00 0.00 +0.127 A ATOM 5 N LIG 1 3.391 -1.185 -3.607 0.00 0.00 -0.077 NA ATOM 6 O LIG 1 2.652 -1.426 -4.745 0.00 0.00 -0.359 OA ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.991 -0.446 -1.336 0.00 0.00 +0.023 A ATOM 8 C LIG 1 2.530 -1.134 -0.204 0.00 0.00 +0.051 A ATOM 9 CL LIG 1 1.408 -2.447 -0.304 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 2.974 -0.766 1.071 0.00 0.00 +0.024 A ATOM 11 C LIG 1 3.889 0.284 1.236 0.00 0.00 -0.035 A ATOM 12 C LIG 1 4.361 0.959 0.104 0.00 0.00 +0.005 A ATOM 13 C LIG 1 3.921 0.593 -1.170 0.00 0.00 +0.012 A BRANCH 11 14 ATOM 14 C LIG 1 4.319 0.712 2.620 0.00 0.00 +0.155 C BRANCH 14 15 ATOM 15 C LIG 1 3.350 1.671 3.283 0.00 0.00 +0.309 C ATOM 16 O LIG 1 2.296 2.061 2.805 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 3.770 2.068 4.509 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 4.625 1.690 4.790 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 4 7 BRANCH 3 19 ATOM 19 C LIG 1 -0.044 -0.170 -2.665 0.00 0.00 +0.250 C ATOM 20 N LIG 1 0.056 0.722 -1.619 0.00 0.00 -0.308 N ATOM 21 H LIG 1 0.952 1.115 -1.365 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.129 -0.539 -3.104 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 -1.120 1.257 -0.959 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 -1.818 0.234 -0.059 0.00 0.00 +0.248 C BRANCH 24 25 ATOM 25 O LIG 1 -2.858 0.903 0.656 0.00 0.00 -0.488 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.683 0.145 1.439 0.00 0.00 +0.151 A ATOM 27 C LIG 1 -4.778 0.782 2.041 0.00 0.00 +0.168 A ATOM 28 C LIG 1 -5.661 0.106 2.895 0.00 0.00 +0.036 A ATOM 29 C LIG 1 -5.455 -1.247 3.146 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -4.378 -1.904 2.553 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.496 -1.214 1.708 0.00 0.00 +0.048 A BRANCH 27 32 ATOM 32 N LIG 1 -5.030 2.189 1.792 0.00 0.00 +0.060 N ATOM 33 O LIG 1 -5.244 2.538 0.623 0.00 0.00 -0.126 OA ATOM 34 O LIG 1 -5.068 2.934 2.782 0.00 0.00 -0.126 OA ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 3 19 TORSDOF 10