REMARK Name = BDB009478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.703 -1.776 -0.527 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.160 -2.695 -1.463 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.794 -3.985 -1.407 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.005 -2.283 -2.490 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.404 -0.946 -2.570 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.968 -0.012 -1.616 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.111 -0.440 -0.588 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 N LIG 1 -1.542 -2.222 0.395 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -0.159 -2.218 0.576 0.00 0.00 +0.249 C ATOM 10 O LIG 1 0.390 -2.522 1.633 0.00 0.00 -0.270 OA BRANCH 8 12 ATOM 11 C LIG 1 -2.573 -3.063 -1.700 0.00 0.00 +0.024 C ATOM 12 C LIG 1 -2.232 -1.850 -0.846 0.00 0.00 +0.105 C ENDBRANCH 8 12 BRANCH 8 13 ATOM 13 C LIG 1 -2.368 -2.688 1.518 0.00 0.00 +0.127 C BRANCH 13 14 ATOM 14 C LIG 1 -2.522 -1.632 2.626 0.00 0.00 +0.126 C BRANCH 14 15 ATOM 15 N LIG 1 -3.172 -0.421 2.164 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -2.611 0.325 1.780 0.00 0.00 +0.152 HD ATOM 17 C LIG 1 -4.508 -0.356 1.919 0.00 0.00 +0.401 C ATOM 18 O LIG 1 -5.312 -1.232 2.190 0.00 0.00 -0.226 OA BRANCH 17 19 ATOM 19 O LIG 1 -4.775 0.813 1.296 0.00 0.00 -0.445 OA BRANCH 19 20 ATOM 20 C LIG 1 -6.127 1.141 0.884 0.00 0.00 +0.107 C ATOM 21 C LIG 1 -5.998 2.502 0.181 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -6.671 0.122 -0.126 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -7.052 1.298 2.096 0.00 0.00 +0.055 C ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 2.419 1.431 -1.678 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 3.358 1.798 -0.530 0.00 0.00 +0.069 A ATOM 26 C LIG 1 4.836 1.604 -0.682 0.00 0.00 -0.016 A ATOM 27 C LIG 1 5.438 1.169 -1.988 0.00 0.00 +0.037 C ATOM 28 C LIG 1 6.953 1.395 -2.058 0.00 0.00 +0.005 C ATOM 29 C LIG 1 7.636 0.927 -0.779 0.00 0.00 +0.005 C ATOM 30 C LIG 1 7.079 1.663 0.447 0.00 0.00 +0.041 C ATOM 31 C LIG 1 5.588 1.851 0.407 0.00 0.00 +0.023 A ATOM 32 C LIG 1 4.956 2.349 1.655 0.00 0.00 +0.268 A ATOM 33 O LIG 1 5.617 2.601 2.658 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 3.600 2.525 1.611 0.00 0.00 -0.243 N ATOM 35 H LIG 1 3.151 2.848 2.460 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 2.791 2.245 0.555 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 9