REMARK Name = BDB007154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.116 1.297 3.810 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.075 0.487 2.560 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.015 0.404 1.639 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.363 -0.462 0.609 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.501 -0.764 -0.459 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.766 -0.168 -0.483 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.158 0.714 0.525 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.650 -0.891 0.893 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.298 0.992 1.596 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.086 -0.332 2.080 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.433 -0.602 2.664 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.498 1.359 0.516 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.963 1.745 -0.721 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.382 1.573 -1.528 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.090 1.536 1.573 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.299 2.260 -0.992 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.758 3.377 -0.052 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.299 1.127 -1.140 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.725 0.729 -2.417 0.00 0.00 +0.006 A ATOM 20 C LIG 1 7.634 -0.322 -2.573 0.00 0.00 +0.013 A ATOM 21 C LIG 1 8.139 -1.001 -1.456 0.00 0.00 +0.055 A ATOM 22 C LIG 1 7.702 -0.618 -0.181 0.00 0.00 +0.013 A ATOM 23 C LIG 1 6.795 0.434 -0.026 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 9.100 -2.151 -1.625 0.00 0.00 +0.417 C ATOM 25 F LIG 1 9.952 -2.301 -0.573 0.00 0.00 -0.166 F ATOM 26 F LIG 1 9.893 -2.025 -2.727 0.00 0.00 -0.166 F ATOM 27 F LIG 1 8.460 -3.345 -1.762 0.00 0.00 -0.166 F ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -2.408 -1.841 0.077 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -3.491 -1.172 -0.734 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -4.831 -1.543 -0.550 0.00 0.00 +0.051 A ATOM 31 C LIG 1 -5.840 -0.916 -1.278 0.00 0.00 +0.122 A ATOM 32 C LIG 1 -5.533 0.038 -2.244 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -4.204 0.404 -2.447 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -3.190 -0.194 -1.694 0.00 0.00 +0.005 A BRANCH 31 35 ATOM 35 O LIG 1 -7.133 -1.310 -1.066 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 -7.875 -0.328 -0.331 0.00 0.00 +0.278 C ATOM 37 C LIG 1 -9.342 -0.522 -0.701 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 -7.710 -0.479 1.184 0.00 0.00 +0.346 C ATOM 39 O LIG 1 -7.094 -1.341 1.790 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 -8.332 0.505 1.873 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 -8.135 0.295 2.811 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10