REMARK Name = BDB023723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.513 -1.008 -0.827 0.00 0.00 +0.227 C ATOM 2 N LIG 1 1.548 -1.544 -1.658 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.297 -0.948 -2.122 0.00 0.00 +0.145 C ATOM 4 C LIG 1 -0.077 -1.772 -3.352 0.00 0.00 +0.063 C ATOM 5 C LIG 1 0.468 -3.163 -3.032 0.00 0.00 +0.134 C ATOM 6 C LIG 1 1.743 -2.864 -2.244 0.00 0.00 +0.139 C ATOM 7 O LIG 1 3.540 -1.645 -0.578 0.00 0.00 -0.275 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.814 -1.052 -1.077 0.00 0.00 +0.159 C ATOM 9 N LIG 1 -1.691 -0.025 -0.854 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -1.291 0.899 -0.758 0.00 0.00 +0.152 HD ATOM 11 C LIG 1 -2.510 -0.435 0.277 0.00 0.00 +0.256 C ATOM 12 O LIG 1 -2.101 -1.808 0.519 0.00 0.00 -0.356 OA ATOM 13 N LIG 1 -1.008 -2.120 -0.355 0.00 0.00 -0.069 NA BRANCH 11 14 ATOM 14 C LIG 1 -4.000 -0.470 -0.074 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -4.516 0.090 -1.258 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -5.886 0.055 -1.531 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.765 -0.538 -0.629 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.278 -1.098 0.549 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.909 -1.065 0.824 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 11 20 ATOM 20 C LIG 1 -2.171 0.469 1.467 0.00 0.00 +0.021 A ATOM 21 C LIG 1 -1.193 0.095 2.406 0.00 0.00 +0.010 A ATOM 22 C LIG 1 -0.843 0.947 3.455 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.456 2.189 3.583 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.421 2.585 2.662 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.771 1.737 1.609 0.00 0.00 +0.010 A ENDBRANCH 11 20 ENDBRANCH 3 8 BRANCH 5 26 ATOM 26 O LIG 1 0.735 -3.874 -4.231 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -0.122 -4.089 -4.637 0.00 0.00 +0.210 HD ENDBRANCH 5 26 BRANCH 1 28 ATOM 28 C LIG 1 2.291 0.416 -0.293 0.00 0.00 +0.146 C BRANCH 28 33 ATOM 29 C LIG 1 4.725 0.535 4.223 0.00 0.00 +0.069 C ATOM 30 C LIG 1 3.824 0.694 3.061 0.00 0.00 +0.081 A ATOM 31 N LIG 1 2.739 1.470 3.148 0.00 0.00 -0.083 NA ATOM 32 O LIG 1 2.125 1.396 1.913 0.00 0.00 -0.359 OA ATOM 33 C LIG 1 2.840 0.578 1.089 0.00 0.00 +0.150 A ATOM 34 C LIG 1 3.934 0.111 1.781 0.00 0.00 +0.071 A ENDBRANCH 28 33 BRANCH 28 35 ATOM 35 C LIG 1 2.827 1.462 -1.306 0.00 0.00 +0.002 C ATOM 36 C LIG 1 2.257 2.857 -1.029 0.00 0.00 +0.008 C ATOM 37 C LIG 1 4.356 1.532 -1.386 0.00 0.00 +0.008 C ENDBRANCH 28 35 ENDBRANCH 1 28 TORSDOF 7