REMARK Name = BDB001382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.366 0.141 -0.665 0.00 0.00 +0.192 C ATOM 2 N LIG 1 1.049 -1.157 -0.598 0.00 0.00 -0.257 N ATOM 3 C LIG 1 1.358 -1.655 -1.853 0.00 0.00 +0.250 C ATOM 4 O LIG 1 1.873 -2.719 -2.140 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 0.995 -0.634 -2.833 0.00 0.00 +0.045 A ATOM 6 C LIG 1 1.165 -0.651 -4.205 0.00 0.00 +0.013 A ATOM 7 C LIG 1 0.756 0.477 -4.918 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.195 1.579 -4.249 0.00 0.00 +0.000 A ATOM 9 C LIG 1 0.034 1.570 -2.859 0.00 0.00 +0.009 A ATOM 10 C LIG 1 0.449 0.448 -2.151 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 0.982 1.266 0.167 0.00 0.00 +0.007 A ATOM 12 C LIG 1 0.224 2.014 1.086 0.00 0.00 +0.008 A ATOM 13 C LIG 1 0.800 3.055 1.821 0.00 0.00 +0.000 A ATOM 14 C LIG 1 2.142 3.378 1.643 0.00 0.00 +0.000 A ATOM 15 C LIG 1 2.908 2.667 0.725 0.00 0.00 +0.000 A ATOM 16 C LIG 1 2.333 1.627 -0.009 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -1.057 0.019 -0.501 0.00 0.00 -0.343 OA BRANCH 17 18 ATOM 18 C LIG 1 -1.539 -0.847 0.513 0.00 0.00 +0.200 C BRANCH 18 22 ATOM 19 C LIG 1 -5.845 1.623 -0.464 0.00 0.00 +0.044 C ATOM 20 C LIG 1 -5.134 0.481 0.204 0.00 0.00 -0.050 A ATOM 21 C LIG 1 -3.741 0.349 0.079 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -3.045 -0.731 0.656 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -3.804 -1.675 1.379 0.00 0.00 +0.132 A ATOM 24 C LIG 1 -5.199 -1.565 1.495 0.00 0.00 +0.033 A ATOM 25 C LIG 1 -5.858 -0.490 0.902 0.00 0.00 +0.005 A BRANCH 23 26 ATOM 26 N LIG 1 -3.168 -2.812 2.045 0.00 0.00 +0.057 N ATOM 27 O LIG 1 -2.107 -2.603 2.649 0.00 0.00 -0.126 OA ATOM 28 O LIG 1 -3.741 -3.907 1.971 0.00 0.00 -0.126 OA ENDBRANCH 23 26 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 1.490 -1.826 0.620 0.00 0.00 +0.146 C BRANCH 29 30 ATOM 30 C LIG 1 2.888 -1.471 1.069 0.00 0.00 -0.030 A ATOM 31 C LIG 1 3.091 -0.758 2.261 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.381 -0.431 2.684 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.484 -0.817 1.926 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.298 -1.535 0.747 0.00 0.00 +0.000 A ATOM 35 C LIG 1 4.009 -1.863 0.322 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 7