REMARK Name = BDB001933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.811 -0.514 -0.310 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.180 -1.492 -0.017 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -1.389 -0.851 0.206 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -1.134 0.499 0.108 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -1.810 1.229 0.290 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 0.181 0.711 -0.209 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 1.918 -2.641 -2.184 0.00 0.00 +0.047 C ATOM 8 C LIG 1 2.734 -1.629 -1.451 0.00 0.00 -0.006 A ATOM 9 C LIG 1 2.233 -0.656 -0.606 0.00 0.00 +0.080 A ATOM 10 N LIG 1 3.018 0.254 0.018 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 4.342 0.183 -0.174 0.00 0.00 +0.220 A ATOM 12 N LIG 1 4.916 -0.738 -0.955 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.107 -1.619 -1.570 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 5.081 1.145 0.507 0.00 0.00 -0.284 N ATOM 15 H LIG 1 4.447 1.712 1.050 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 6.445 1.435 0.614 0.00 0.00 +0.034 A ATOM 17 C LIG 1 7.449 0.727 -0.053 0.00 0.00 +0.023 A ATOM 18 C LIG 1 8.799 1.071 0.091 0.00 0.00 +0.002 A ATOM 19 C LIG 1 9.167 2.134 0.909 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.186 2.855 1.581 0.00 0.00 +0.002 A ATOM 21 C LIG 1 6.840 2.507 1.433 0.00 0.00 +0.023 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 22 ATOM 22 C LIG 1 -2.663 -1.453 0.537 0.00 0.00 +0.261 C ATOM 23 N LIG 1 -3.749 -0.620 0.383 0.00 0.00 -0.301 N ATOM 24 H LIG 1 -3.659 0.122 -0.295 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -2.781 -2.619 0.901 0.00 0.00 -0.269 OA BRANCH 23 26 ATOM 26 CA LIG 1 -5.101 -1.147 0.509 0.00 0.00 +0.129 C BRANCH 26 27 ATOM 27 C LIG 1 -6.046 -0.004 0.849 0.00 0.00 -0.024 A ATOM 28 C LIG 1 -6.316 0.276 2.202 0.00 0.00 +0.025 A ATOM 29 C LIG 1 -7.156 1.332 2.557 0.00 0.00 +0.041 A ATOM 30 CL LIG 1 -7.476 1.648 4.218 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -7.734 2.134 1.577 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -7.463 1.882 0.234 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.621 0.826 -0.127 0.00 0.00 +0.005 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 -5.496 -1.977 -0.739 0.00 0.00 +0.182 C BRANCH 34 35 ATOM 35 O LIG 1 -5.191 -1.283 -1.955 0.00 0.00 -0.393 OA ATOM 36 H LIG 1 -5.347 -1.916 -2.678 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 23 26 ENDBRANCH 3 22 TORSDOF 8