REMARK Name = BDB063606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.047 -2.208 -0.450 0.00 0.00 +0.024 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.006 -1.098 0.604 0.00 0.00 +0.037 C BRANCH 2 9 ATOM 3 C LIG 1 -4.596 -0.487 2.526 0.00 0.00 +0.047 C ATOM 4 C LIG 1 -3.574 -0.094 1.498 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -3.824 0.888 0.524 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.808 1.304 -0.352 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.010 2.408 -1.350 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.572 0.641 -0.324 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -1.322 -0.382 0.598 0.00 0.00 -0.047 A ATOM 10 C LIG 1 -2.326 -0.737 1.506 0.00 0.00 +0.010 A BRANCH 5 11 ATOM 11 O LIG 1 -5.037 1.522 0.486 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 -6.079 0.913 -0.323 0.00 0.00 +0.200 C ATOM 13 C LIG 1 -6.549 1.975 -1.325 0.00 0.00 +0.067 C ATOM 14 C LIG 1 -5.735 -0.386 -1.068 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 -7.268 0.663 0.623 0.00 0.00 +0.348 C ATOM 16 O LIG 1 -8.211 -0.079 0.388 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 -7.199 1.398 1.764 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -6.353 1.900 1.776 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.334 -3.034 -0.394 0.00 0.00 +0.118 C BRANCH 19 20 ATOM 20 N LIG 1 2.511 -2.273 -0.766 0.00 0.00 -0.224 N ATOM 21 C LIG 1 3.384 -1.702 0.126 0.00 0.00 +0.316 C ATOM 22 O LIG 1 3.259 -1.776 1.339 0.00 0.00 -0.252 OA ATOM 23 N LIG 1 4.385 -1.041 -0.605 0.00 0.00 -0.246 N ATOM 24 C LIG 1 4.148 -1.182 -2.024 0.00 0.00 +0.211 C ATOM 25 C LIG 1 2.881 -2.003 -2.048 0.00 0.00 +0.241 C ATOM 26 O LIG 1 2.298 -2.351 -3.066 0.00 0.00 -0.273 OA BRANCH 23 27 ATOM 27 C LIG 1 5.491 -0.314 -0.089 0.00 0.00 +0.038 A ATOM 28 C LIG 1 5.715 -0.175 1.286 0.00 0.00 +0.024 A ATOM 29 C LIG 1 6.811 0.548 1.778 0.00 0.00 +0.014 A ATOM 30 C LIG 1 7.715 1.160 0.904 0.00 0.00 +0.055 A ATOM 31 C LIG 1 7.506 1.020 -0.472 0.00 0.00 +0.014 A ATOM 32 C LIG 1 6.409 0.297 -0.959 0.00 0.00 +0.024 A BRANCH 30 33 ATOM 33 C LIG 1 8.908 1.919 1.431 0.00 0.00 +0.417 C ATOM 34 F LIG 1 10.007 1.127 1.565 0.00 0.00 -0.166 F ATOM 35 F LIG 1 9.285 2.947 0.619 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.694 2.474 2.656 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10