REMARK Name = BDB011546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.745 -0.873 0.042 0.00 0.00 +0.200 C ATOM 2 C LIG 1 3.243 -1.734 1.198 0.00 0.00 +0.200 C ATOM 3 C LIG 1 4.737 -2.050 1.152 0.00 0.00 +0.054 C ATOM 4 O LIG 1 2.586 -2.993 1.140 0.00 0.00 -0.485 OA ATOM 5 C LIG 1 1.224 -3.054 1.223 0.00 0.00 +0.142 A ATOM 6 C LIG 1 0.261 -2.024 1.272 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -1.083 -2.448 1.420 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.462 -3.794 1.496 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.501 -4.781 1.427 0.00 0.00 +0.004 A ATOM 10 N LIG 1 0.519 -0.598 1.184 0.00 0.00 -0.262 N ATOM 11 C LIG 1 0.829 -4.408 1.292 0.00 0.00 +0.047 A ATOM 12 C LIG 1 1.660 0.001 0.652 0.00 0.00 +0.244 C ATOM 13 O LIG 1 1.822 1.231 0.656 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 4.435 -0.268 -1.677 0.00 0.00 +0.230 C ATOM 15 N LIG 1 3.743 0.040 -0.529 0.00 0.00 -0.300 N ATOM 16 H LIG 1 3.650 1.016 -0.256 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 4.377 -1.373 -2.212 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 5.285 0.893 -2.239 0.00 0.00 +0.137 C ATOM 19 C LIG 1 4.366 1.869 -2.971 0.00 0.00 +0.034 C BRANCH 18 20 ATOM 20 N LIG 1 6.287 0.387 -3.199 0.00 0.00 -0.306 NA ATOM 21 H LIG 1 5.911 -0.478 -3.604 0.00 0.00 +0.123 HD BRANCH 20 23 ATOM 22 C LIG 1 7.610 -1.070 -1.635 0.00 0.00 +0.020 C ATOM 23 C LIG 1 7.590 0.108 -2.598 0.00 0.00 +0.078 C ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 10 24 ATOM 24 C LIG 1 -0.478 0.344 1.736 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -1.601 0.759 0.794 0.00 0.00 -0.021 A ATOM 26 C LIG 1 -2.946 0.903 1.237 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.589 0.677 2.486 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -4.932 0.947 2.338 0.00 0.00 +0.126 A ATOM 29 N LIG 1 -5.144 1.397 1.050 0.00 0.00 -0.299 N ATOM 30 C LIG 1 -3.940 1.329 0.346 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -3.654 1.568 -1.010 0.00 0.00 +0.027 A ATOM 32 C LIG 1 -2.336 1.446 -1.438 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -1.330 1.067 -0.555 0.00 0.00 +0.006 A BRANCH 29 34 ATOM 34 C LIG 1 -6.395 1.810 0.512 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -6.560 3.078 -0.074 0.00 0.00 +0.076 A ATOM 36 C LIG 1 -7.811 3.420 -0.611 0.00 0.00 +0.021 A ATOM 37 C LIG 1 -8.878 2.522 -0.556 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.713 1.277 0.046 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -7.477 0.918 0.584 0.00 0.00 +0.027 A BRANCH 35 40 ATOM 40 C LIG 1 -5.538 4.087 -0.063 0.00 0.00 +0.101 C ATOM 41 N LIG 1 -4.732 4.922 -0.051 0.00 0.00 -0.191 NA ENDBRANCH 35 40 ENDBRANCH 29 34 BRANCH 28 42 ATOM 42 C LIG 1 -5.918 0.855 3.359 0.00 0.00 +0.118 C ATOM 43 N LIG 1 -6.724 0.765 4.188 0.00 0.00 -0.189 NA ENDBRANCH 28 42 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 9