REMARK Name = BDB056023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.883 2.292 -3.667 0.00 0.00 +0.094 A ATOM 2 N LIG 1 1.308 2.608 -4.902 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 0.323 2.195 -5.713 0.00 0.00 -0.263 N ATOM 4 H LIG 1 0.437 2.341 -6.708 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -0.725 1.596 -5.067 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -0.400 1.676 -3.733 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 3.257 3.132 -0.185 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.567 3.718 -1.419 0.00 0.00 +0.006 A ATOM 9 C LIG 1 2.789 3.444 -2.549 0.00 0.00 +0.010 A ATOM 10 C LIG 1 1.687 2.580 -2.473 0.00 0.00 +0.002 A ATOM 11 C LIG 1 1.385 1.991 -1.238 0.00 0.00 +0.010 A ATOM 12 C LIG 1 2.164 2.261 -0.108 0.00 0.00 +0.006 A BRANCH 7 13 ATOM 13 C LIG 1 4.116 3.384 1.028 0.00 0.00 +0.141 C BRANCH 13 18 ATOM 14 O LIG 1 3.935 1.098 2.618 0.00 0.00 -0.252 OA ATOM 15 C LIG 1 4.935 1.249 1.929 0.00 0.00 +0.304 C ATOM 16 N LIG 1 6.004 0.384 1.821 0.00 0.00 -0.269 N ATOM 17 H LIG 1 6.822 0.763 1.369 0.00 0.00 +0.156 HD ATOM 18 N LIG 1 5.143 2.371 1.149 0.00 0.00 -0.295 N ATOM 19 H LIG 1 5.701 2.225 0.322 0.00 0.00 +0.151 HD BRANCH 16 20 ATOM 20 C LIG 1 6.141 -0.895 2.394 0.00 0.00 +0.035 A ATOM 21 C LIG 1 5.123 -1.553 3.085 0.00 0.00 +0.023 A ATOM 22 C LIG 1 5.338 -2.829 3.620 0.00 0.00 +0.002 A ATOM 23 C LIG 1 6.571 -3.457 3.462 0.00 0.00 +0.000 A ATOM 24 C LIG 1 7.592 -2.813 2.769 0.00 0.00 +0.002 A ATOM 25 C LIG 1 7.377 -1.538 2.237 0.00 0.00 +0.023 A ENDBRANCH 16 20 ENDBRANCH 13 18 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 5 26 ATOM 26 N LIG 1 -1.806 1.111 -5.776 0.00 0.00 -0.267 N ATOM 27 H LIG 1 -1.900 1.358 -6.755 0.00 0.00 +0.157 HD ATOM 28 C LIG 1 -2.916 0.455 -5.292 0.00 0.00 +0.249 C ATOM 29 O LIG 1 -3.922 0.357 -5.994 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.919 -0.189 -3.965 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -3.923 0.152 -3.051 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -3.949 -0.458 -1.797 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -2.977 -1.406 -1.470 0.00 0.00 +0.121 A ATOM 34 C LIG 1 -2.011 -1.790 -2.398 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -1.979 -1.181 -3.653 0.00 0.00 +0.016 A BRANCH 33 36 ATOM 36 O LIG 1 -3.010 -2.043 -0.260 0.00 0.00 -0.491 OA BRANCH 36 37 ATOM 37 C LIG 1 -2.559 -1.180 0.793 0.00 0.00 +0.244 C BRANCH 37 38 ATOM 38 C LIG 1 -3.173 -1.608 2.140 0.00 0.00 +0.125 C BRANCH 38 39 ATOM 39 N LIG 1 -4.543 -1.098 2.341 0.00 0.00 -0.295 NA ATOM 40 C LIG 1 -5.569 -1.856 1.590 0.00 0.00 +0.112 C ATOM 41 C LIG 1 -6.484 -2.718 2.477 0.00 0.00 +0.175 C ATOM 42 O LIG 1 -7.170 -1.962 3.484 0.00 0.00 -0.377 OA ATOM 43 C LIG 1 -6.395 -0.865 3.985 0.00 0.00 +0.175 C ATOM 44 C LIG 1 -4.884 -1.046 3.778 0.00 0.00 +0.112 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 5 26 TORSDOF 10