REMARK Name = BDB064672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.929 0.576 1.255 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.292 0.398 2.462 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.917 1.542 3.303 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -0.851 0.968 4.717 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -0.429 -0.479 4.489 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -1.188 -0.846 3.213 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -2.106 1.713 0.800 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.436 2.121 2.838 0.00 0.00 +0.234 C ATOM 9 N LIG 1 0.361 2.809 1.646 0.00 0.00 -0.310 N ATOM 10 H LIG 1 -0.493 2.698 1.099 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 1.481 1.979 3.469 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 1.528 3.341 0.988 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 2.079 2.369 -0.023 0.00 0.00 -0.030 A ATOM 14 C LIG 1 1.672 2.421 -1.360 0.00 0.00 +0.006 A ATOM 15 C LIG 1 2.171 1.501 -2.289 0.00 0.00 +0.009 A ATOM 16 C LIG 1 3.083 0.503 -1.908 0.00 0.00 -0.018 A ATOM 17 C LIG 1 3.479 0.457 -0.562 0.00 0.00 +0.009 A ATOM 18 C LIG 1 2.982 1.375 0.369 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 3.599 -0.468 -2.888 0.00 0.00 -0.018 A ATOM 20 C LIG 1 3.539 -1.850 -2.641 0.00 0.00 +0.008 A ATOM 21 C LIG 1 4.024 -2.772 -3.573 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.580 -2.327 -4.769 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.652 -0.962 -5.034 0.00 0.00 +0.001 A ATOM 24 C LIG 1 4.165 -0.042 -4.102 0.00 0.00 +0.008 A ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 25 ATOM 25 O LIG 1 -0.803 -1.278 5.598 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -0.477 -2.181 5.438 0.00 0.00 +0.210 HD ENDBRANCH 5 25 BRANCH 1 27 ATOM 27 C LIG 1 -2.408 -0.674 0.469 0.00 0.00 +0.164 C BRANCH 27 30 ATOM 28 C LIG 1 -6.161 -0.137 0.428 0.00 0.00 +0.109 C ATOM 29 C LIG 1 -4.839 -0.699 0.874 0.00 0.00 +0.211 C ATOM 30 N LIG 1 -3.781 -0.368 0.057 0.00 0.00 -0.304 N ATOM 31 H LIG 1 -3.890 0.477 -0.493 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 -4.726 -1.387 1.883 0.00 0.00 -0.276 OA ENDBRANCH 27 30 BRANCH 27 33 ATOM 33 C LIG 1 -1.497 -1.032 -0.748 0.00 0.00 -0.011 C ATOM 34 C LIG 1 -1.430 0.090 -1.801 0.00 0.00 +0.013 C ATOM 35 C LIG 1 -0.065 -1.342 -0.273 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -2.046 -2.302 -1.436 0.00 0.00 +0.013 C ENDBRANCH 27 33 ENDBRANCH 1 27 TORSDOF 8