REMARK Name = BDB040010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.452 -1.131 -0.292 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.698 -1.924 -0.354 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.942 -3.026 0.102 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.692 -1.177 -1.135 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.981 -1.549 -1.472 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.746 -0.659 -2.239 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.176 0.572 -2.644 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.862 0.939 -2.288 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.132 0.032 -1.525 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.267 0.126 -1.006 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.015 -0.820 0.963 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.765 -0.569 0.333 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.671 -1.456 0.366 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.835 -2.651 1.063 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.042 -2.946 1.696 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.108 -2.047 1.643 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.250 0.289 0.861 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -5.569 0.762 -0.584 0.00 0.00 +0.177 C ATOM 19 O LIG 1 -4.765 1.956 -0.404 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.800 1.772 1.038 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 -6.483 -0.151 1.663 0.00 0.00 +0.248 C ATOM 22 F LIG 1 -6.920 -1.330 1.121 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 -9.284 -0.359 0.248 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -8.834 0.691 1.123 0.00 0.00 -0.318 N ATOM 25 C LIG 1 -7.623 0.809 1.760 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -7.660 1.887 2.520 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 -8.876 2.498 2.347 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -9.571 1.769 1.508 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.261 2.247 -2.726 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.151 3.084 -3.325 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.246 2.073 -3.615 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.731 2.946 -1.685 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.165 -1.017 -2.636 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.229 -0.606 -1.710 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.184 -1.297 -0.418 0.00 0.00 +0.088 C ATOM 36 C LIG 1 7.449 -1.009 0.385 0.00 0.00 +0.058 C ATOM 37 C LIG 1 7.668 0.493 0.565 0.00 0.00 +0.137 C ATOM 38 F LIG 1 8.920 0.667 1.100 0.00 0.00 -0.239 F ATOM 39 C LIG 1 7.641 1.190 -0.794 0.00 0.00 +0.058 C ATOM 40 C LIG 1 6.379 0.844 -1.583 0.00 0.00 +0.088 C BRANCH 37 41 ATOM 41 C LIG 1 6.685 1.135 1.558 0.00 0.00 +0.196 C BRANCH 41 42 ATOM 42 O LIG 1 6.741 0.487 2.829 0.00 0.00 -0.392 OA ATOM 43 H LIG 1 7.683 0.473 3.086 0.00 0.00 +0.210 HD ENDBRANCH 41 42 ENDBRANCH 37 41 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9