REMARK Name = BDB053410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.795 -1.631 -1.907 0.00 0.00 +0.121 C ATOM 2 C LIG 1 -1.613 -0.477 -1.384 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -2.864 -0.926 -0.950 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.799 -0.044 -0.433 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.470 1.319 -0.337 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.219 1.766 -0.816 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -3.022 -2.398 -1.170 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.286 0.870 -1.342 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.568 -2.852 -1.360 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.689 -1.556 -2.378 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.602 -1.578 -1.521 0.00 0.00 -0.305 N ATOM 12 C LIG 1 1.085 -1.523 -0.236 0.00 0.00 +0.161 A ATOM 13 C LIG 1 2.464 -1.465 -0.373 0.00 0.00 +0.111 A ATOM 14 C LIG 1 3.252 -1.391 0.786 0.00 0.00 -0.016 A ATOM 15 C LIG 1 2.547 -1.391 2.003 0.00 0.00 +0.029 A ATOM 16 C LIG 1 1.149 -1.459 2.017 0.00 0.00 +0.041 A ATOM 17 C LIG 1 0.438 -1.484 3.341 0.00 0.00 +0.065 C ATOM 18 N LIG 1 0.372 -1.521 0.908 0.00 0.00 -0.233 NA ATOM 19 N LIG 1 2.820 -1.485 -1.698 0.00 0.00 -0.230 NA BRANCH 10 21 ATOM 20 C LIG 1 2.922 -1.564 -4.569 0.00 0.00 +0.012 C ATOM 21 C LIG 1 1.572 -1.597 -3.869 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 14 22 ATOM 22 C LIG 1 4.755 -1.304 0.763 0.00 0.00 +0.040 C BRANCH 22 23 ATOM 23 C LIG 1 5.296 0.108 1.056 0.00 0.00 -0.013 C ATOM 24 C LIG 1 4.934 1.105 -0.049 0.00 0.00 +0.007 C ATOM 25 C LIG 1 6.816 0.056 1.225 0.00 0.00 +0.007 C ENDBRANCH 22 23 ENDBRANCH 14 22 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.413 2.265 0.270 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -4.282 2.767 1.589 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.249 3.689 2.048 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.315 4.101 1.247 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.442 3.602 -0.040 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.501 2.695 -0.522 0.00 0.00 +0.009 A BRANCH 27 32 ATOM 32 C LIG 1 -3.214 2.407 2.537 0.00 0.00 +0.180 A ATOM 33 N LIG 1 -2.306 1.382 2.433 0.00 0.00 -0.239 N ATOM 34 H LIG 1 -2.172 0.690 1.707 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 -1.501 1.356 3.506 0.00 0.00 -0.046 NA ATOM 36 N LIG 1 -1.906 2.358 4.266 0.00 0.00 -0.023 NA ATOM 37 N LIG 1 -2.962 3.012 3.688 0.00 0.00 -0.108 NA ENDBRANCH 27 32 ENDBRANCH 5 26 TORSDOF 6