REMARK Name = BDB025078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.242 -0.484 0.924 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.110 -0.997 0.263 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.337 -2.286 -0.419 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.472 -3.429 0.602 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.284 -2.604 -1.477 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.901 -2.553 -0.865 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.685 -1.215 -0.219 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.373 -0.694 -0.125 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.193 -1.269 -0.517 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.759 -0.397 -0.247 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.229 0.736 0.344 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.145 0.564 0.409 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.193 1.366 0.856 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.491 0.835 0.778 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.768 -0.456 0.299 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.384 -0.888 0.711 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.932 1.913 0.853 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.623 2.753 -0.237 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -3.088 3.055 0.068 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.285 3.637 1.476 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.512 2.880 2.568 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.826 1.609 2.066 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.765 3.684 1.826 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.620 2.953 1.352 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.056 4.621 2.758 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.287 5.135 3.070 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.132 0.910 2.593 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.981 0.446 1.885 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.206 -0.662 -0.533 0.00 0.00 +0.110 C BRANCH 29 30 ATOM 30 C LIG 1 -2.464 -0.846 -2.036 0.00 0.00 +0.152 C BRANCH 30 31 ATOM 31 C LIG 1 -3.784 -1.550 -2.290 0.00 0.00 -0.019 A ATOM 32 C LIG 1 -5.008 -0.907 -2.042 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -6.215 -1.570 -2.265 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.215 -2.882 -2.735 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.007 -3.533 -2.980 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.797 -2.873 -2.757 0.00 0.00 +0.006 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 O LIG 1 -2.504 0.432 -2.685 0.00 0.00 -0.387 OA ATOM 38 H LIG 1 -2.904 0.282 -3.560 0.00 0.00 +0.210 HD ENDBRANCH 30 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8