REMARK Name = BDB048722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.391 -0.034 0.477 0.00 0.00 -0.026 A ATOM 2 C LIG 1 3.221 -0.573 1.037 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.958 -0.114 0.647 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.844 0.895 -0.307 0.00 0.00 +0.121 A ATOM 5 C LIG 1 3.003 1.439 -0.864 0.00 0.00 +0.046 A ATOM 6 C LIG 1 4.267 0.981 -0.480 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 8.161 -0.215 3.913 0.00 0.00 +0.059 C ATOM 8 C LIG 1 7.305 -0.790 2.807 0.00 0.00 +0.026 C ATOM 9 C LIG 1 6.126 0.015 2.304 0.00 0.00 +0.164 C ATOM 10 C LIG 1 5.769 -0.506 0.917 0.00 0.00 +0.124 C ATOM 11 N LIG 1 5.813 -1.944 0.888 0.00 0.00 -0.290 N ATOM 12 H LIG 1 5.419 -2.440 0.098 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 6.839 -2.628 1.465 0.00 0.00 +0.324 C ATOM 14 O LIG 1 7.025 -3.794 1.140 0.00 0.00 -0.251 OA ATOM 15 N LIG 1 7.597 -1.983 2.396 0.00 0.00 -0.172 NA BRANCH 9 16 ATOM 16 C LIG 1 6.407 1.493 2.202 0.00 0.00 +0.315 C ATOM 17 O LIG 1 7.492 1.964 1.897 0.00 0.00 -0.250 OA BRANCH 16 18 ATOM 18 O LIG 1 5.340 2.283 2.456 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 4.484 1.829 2.588 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 9 16 ENDBRANCH 1 10 BRANCH 4 20 ATOM 20 O LIG 1 0.678 1.432 -0.777 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.542 0.888 -0.272 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 C LIG 1 -1.696 1.607 -0.958 0.00 0.00 +0.082 C BRANCH 22 23 ATOM 23 C LIG 1 -3.042 1.116 -0.445 0.00 0.00 +0.232 C BRANCH 23 24 ATOM 24 O LIG 1 -4.069 1.807 -1.167 0.00 0.00 -0.491 OA BRANCH 24 25 ATOM 25 C LIG 1 -5.306 1.397 -0.710 0.00 0.00 +0.130 A ATOM 26 C LIG 1 -5.973 0.279 -1.262 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -7.217 -0.065 -0.727 0.00 0.00 +0.051 A ATOM 28 N LIG 1 -7.649 -1.185 -1.398 0.00 0.00 -0.354 N ATOM 29 H LIG 1 -8.521 -1.659 -1.216 0.00 0.00 +0.166 HD ATOM 30 C LIG 1 -6.739 -1.571 -2.353 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -6.779 -2.642 -3.254 0.00 0.00 +0.026 A ATOM 32 C LIG 1 -5.706 -2.784 -4.139 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.640 -1.888 -4.124 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.618 -0.824 -3.216 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -7.830 0.662 0.302 0.00 0.00 +0.026 A ATOM 36 C LIG 1 -7.160 1.785 0.798 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -5.684 -0.662 -2.304 0.00 0.00 +0.011 A ATOM 38 C LIG 1 -5.916 2.155 0.296 0.00 0.00 +0.046 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 9