REMARK Name = BDB048606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.620 -0.624 -1.266 0.00 0.00 +0.053 A ATOM 2 N LIG 1 0.602 -1.268 -1.214 0.00 0.00 -0.235 N ATOM 3 N LIG 1 0.781 -1.923 -0.044 0.00 0.00 -0.165 NA ATOM 4 C LIG 1 -0.195 -1.480 0.764 0.00 0.00 +0.101 A ATOM 5 C LIG 1 -1.110 -0.664 0.031 0.00 0.00 +0.031 A ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 1.647 -1.279 -2.172 0.00 0.00 +0.073 A ATOM 7 C LIG 1 2.184 -0.077 -2.695 0.00 0.00 +0.008 A ATOM 8 C LIG 1 3.180 -0.194 -3.683 0.00 0.00 +0.010 A ATOM 9 C LIG 1 3.650 -1.443 -4.101 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.153 -2.608 -3.523 0.00 0.00 +0.002 A ATOM 11 C LIG 1 2.161 -2.530 -2.549 0.00 0.00 +0.028 A BRANCH 7 12 ATOM 12 C LIG 1 1.855 1.263 -2.163 0.00 0.00 -0.012 A ATOM 13 C LIG 1 1.984 1.527 -0.784 0.00 0.00 +0.054 A ATOM 14 C LIG 1 1.622 2.760 -0.243 0.00 0.00 +0.122 A ATOM 15 C LIG 1 1.189 3.776 -1.093 0.00 0.00 +0.046 A ATOM 16 C LIG 1 1.088 3.551 -2.466 0.00 0.00 +0.004 A ATOM 17 C LIG 1 1.415 2.301 -2.997 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 O LIG 1 1.656 3.082 1.087 0.00 0.00 -0.481 OA BRANCH 18 19 ATOM 19 C LIG 1 1.715 1.986 1.994 0.00 0.00 +0.349 C BRANCH 19 20 ATOM 20 C LIG 1 1.471 2.429 3.432 0.00 0.00 +0.343 C ATOM 21 O LIG 1 1.302 3.581 3.805 0.00 0.00 -0.247 OA BRANCH 20 22 ATOM 22 O LIG 1 1.456 1.389 4.306 0.00 0.00 -0.478 OA ATOM 23 H LIG 1 1.571 0.507 3.899 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 7 12 ENDBRANCH 2 6 BRANCH 4 24 ATOM 24 C LIG 1 -0.191 -1.847 2.188 0.00 0.00 +0.003 A ATOM 25 C LIG 1 0.449 -3.026 2.606 0.00 0.00 +0.010 A ATOM 26 C LIG 1 0.501 -3.376 3.958 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -0.082 -2.549 4.914 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -0.717 -1.375 4.519 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -0.768 -1.025 3.166 0.00 0.00 +0.010 A ENDBRANCH 4 24 BRANCH 5 30 ATOM 30 C LIG 1 -2.352 -0.033 0.432 0.00 0.00 -0.014 A ATOM 31 C LIG 1 -2.462 1.363 0.434 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -3.650 1.972 0.841 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.731 1.189 1.247 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.626 -0.201 1.247 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -3.439 -0.813 0.841 0.00 0.00 +0.008 A ENDBRANCH 5 30 BRANCH 1 37 ATOM 36 C LIG 1 -2.364 -0.957 -3.025 0.00 0.00 +0.010 C ATOM 37 C LIG 1 -1.224 -0.079 -2.525 0.00 0.00 +0.053 C ENDBRANCH 1 37 TORSDOF 9