REMARK Name = BDB015163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.769 -1.040 0.912 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.998 0.300 -0.130 0.00 0.00 +0.040 A ATOM 3 C LIG 1 2.977 -0.491 0.429 0.00 0.00 +0.069 A ATOM 4 C LIG 1 1.619 -0.161 0.301 0.00 0.00 +0.122 A ATOM 5 C LIG 1 1.260 0.979 -0.408 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.251 1.780 -0.973 0.00 0.00 +0.005 A ATOM 7 C LIG 1 3.602 1.444 -0.833 0.00 0.00 +0.024 A BRANCH 2 9 ATOM 8 C LIG 1 5.658 -1.505 0.214 0.00 0.00 +0.138 C ATOM 9 N LIG 1 5.383 -0.079 0.024 0.00 0.00 -0.269 N ATOM 10 C LIG 1 6.429 0.877 0.017 0.00 0.00 +0.272 C ATOM 11 O LIG 1 6.274 2.062 -0.282 0.00 0.00 -0.268 OA BRANCH 10 12 ATOM 12 C LIG 1 7.780 0.455 0.427 0.00 0.00 +0.164 A ATOM 13 N LIG 1 8.133 -0.693 1.122 0.00 0.00 -0.211 NA ATOM 14 C LIG 1 9.432 -0.580 1.282 0.00 0.00 +0.308 A ATOM 15 O LIG 1 9.982 0.549 0.762 0.00 0.00 -0.450 OA ATOM 16 C LIG 1 8.919 1.209 0.228 0.00 0.00 +0.230 A ENDBRANCH 10 12 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 17 ATOM 17 C LIG 1 -0.635 -0.753 0.921 0.00 0.00 +0.261 C BRANCH 17 18 ATOM 18 C LIG 1 -1.325 -1.286 -0.342 0.00 0.00 +0.166 C BRANCH 18 19 ATOM 19 O LIG 1 -1.444 -2.718 -0.265 0.00 0.00 -0.387 OA ATOM 20 H LIG 1 -2.252 -2.872 0.266 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 -2.737 -0.699 -0.566 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -3.719 -1.229 0.409 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -5.022 -1.512 -0.233 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -5.840 -0.286 -0.572 0.00 0.00 -0.030 A ATOM 25 C LIG 1 -5.677 0.908 0.153 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.477 2.018 -0.149 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -7.444 1.939 -1.151 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.617 0.753 -1.859 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.611 1.016 1.213 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -6.823 -0.356 -1.569 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.957 -0.333 1.557 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8