REMARK Name = BDB008146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.394 0.432 0.042 0.00 0.00 +0.190 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.912 -0.300 0.293 0.00 0.00 -0.018 A ATOM 3 C LIG 1 1.276 -0.615 1.611 0.00 0.00 +0.008 A ATOM 4 C LIG 1 2.464 -1.303 1.883 0.00 0.00 +0.026 A ATOM 5 C LIG 1 3.317 -1.708 0.851 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.941 -1.409 -0.465 0.00 0.00 +0.026 A ATOM 7 C LIG 1 1.752 -0.725 -0.744 0.00 0.00 +0.008 A BRANCH 5 8 ATOM 8 N LIG 1 4.530 -2.372 1.085 0.00 0.00 -0.327 N ATOM 9 H LIG 1 4.938 -2.826 0.279 0.00 0.00 +0.169 HD BRANCH 8 10 ATOM 10 C LIG 1 5.338 -2.310 2.170 0.00 0.00 +0.192 C ATOM 11 N LIG 1 5.404 -1.411 3.086 0.00 0.00 -0.269 NA ATOM 12 H LIG 1 4.746 -0.664 2.849 0.00 0.00 +0.190 HD BRANCH 10 13 ATOM 13 N LIG 1 6.197 -3.353 2.237 0.00 0.00 -0.370 N ATOM 14 H LIG 1 5.732 -4.248 2.150 0.00 0.00 +0.159 HD ATOM 15 H LIG 1 6.696 -3.305 3.121 0.00 0.00 +0.159 HD ENDBRANCH 10 13 ENDBRANCH 8 10 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 17 ATOM 16 C LIG 1 -2.750 -0.225 0.275 0.00 0.00 +0.234 C ATOM 17 N LIG 1 -1.467 -0.538 -0.115 0.00 0.00 -0.299 N ATOM 18 H LIG 1 -1.348 -1.213 -0.859 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 -3.026 0.785 0.922 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 -3.828 -1.212 -0.214 0.00 0.00 +0.156 C ATOM 21 C LIG 1 -4.149 -0.942 -1.677 0.00 0.00 +0.038 C BRANCH 20 24 ATOM 22 C LIG 1 -6.334 -1.357 2.614 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -5.218 -1.824 1.719 0.00 0.00 +0.211 C ATOM 24 N LIG 1 -5.019 -1.032 0.610 0.00 0.00 -0.304 N ATOM 25 H LIG 1 -5.329 -0.070 0.697 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 -4.554 -2.824 1.972 0.00 0.00 -0.276 OA ENDBRANCH 20 24 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 1 27 ATOM 27 C LIG 1 -0.362 1.352 -1.210 0.00 0.00 +0.238 C ATOM 28 N LIG 1 0.457 2.463 -1.091 0.00 0.00 -0.302 N ATOM 29 H LIG 1 1.245 2.358 -0.460 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 -1.009 1.115 -2.232 0.00 0.00 -0.273 OA BRANCH 28 31 ATOM 31 C LIG 1 0.685 3.319 -2.249 0.00 0.00 +0.156 C ATOM 32 C LIG 1 1.055 4.728 -1.805 0.00 0.00 +0.038 C BRANCH 31 33 ATOM 33 C LIG 1 1.817 2.726 -3.108 0.00 0.00 +0.231 C ATOM 34 O LIG 1 2.635 1.908 -2.693 0.00 0.00 -0.274 OA ATOM 35 N LIG 1 1.911 3.211 -4.383 0.00 0.00 -0.328 N ATOM 36 H LIG 1 1.104 3.613 -4.842 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 2.593 2.754 -4.976 0.00 0.00 +0.145 HD ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 1 27 TORSDOF 10