REMARK Name = BDB048729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.511 2.035 0.425 0.00 0.00 +0.162 A ATOM 2 C LIG 1 0.523 1.033 0.354 0.00 0.00 +0.162 A ATOM 3 C LIG 1 0.892 -0.308 0.485 0.00 0.00 +0.050 A ATOM 4 C LIG 1 2.231 -0.657 0.686 0.00 0.00 +0.009 A ATOM 5 C LIG 1 3.226 0.328 0.763 0.00 0.00 -0.022 A ATOM 6 C LIG 1 2.851 1.675 0.624 0.00 0.00 +0.055 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.688 -0.031 0.955 0.00 0.00 +0.124 C ATOM 8 C LIG 1 5.465 -0.242 -0.338 0.00 0.00 +0.164 C ATOM 9 C LIG 1 6.823 -0.775 0.046 0.00 0.00 +0.026 C ATOM 10 C LIG 1 7.951 -0.570 -0.934 0.00 0.00 +0.059 C ATOM 11 N LIG 1 7.082 -1.400 1.150 0.00 0.00 -0.172 NA ATOM 12 C LIG 1 6.100 -1.679 2.057 0.00 0.00 +0.324 C ATOM 13 O LIG 1 6.282 -2.373 3.050 0.00 0.00 -0.251 OA ATOM 14 N LIG 1 4.862 -1.142 1.850 0.00 0.00 -0.290 N ATOM 15 H LIG 1 4.257 -1.248 2.655 0.00 0.00 +0.151 HD BRANCH 8 16 ATOM 16 C LIG 1 4.770 -1.150 -1.315 0.00 0.00 +0.315 C ATOM 17 O LIG 1 4.755 -2.368 -1.310 0.00 0.00 -0.250 OA BRANCH 16 18 ATOM 18 O LIG 1 4.121 -0.467 -2.279 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 3.687 -1.159 -2.824 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 2.018 4.373 0.405 0.00 0.00 +0.277 C ATOM 21 O LIG 1 1.067 3.326 0.281 0.00 0.00 -0.491 OA ENDBRANCH 1 21 BRANCH 2 22 ATOM 22 O LIG 1 -0.762 1.470 0.155 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.798 0.491 0.088 0.00 0.00 +0.250 C BRANCH 23 24 ATOM 24 C LIG 1 -3.119 1.221 -0.121 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 N LIG 1 -4.238 0.301 -0.220 0.00 0.00 -0.337 N ATOM 26 C LIG 1 -4.691 -0.257 -1.400 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -5.762 -1.089 -1.070 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -6.420 -1.793 -2.101 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -5.990 -1.646 -3.424 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.919 -0.814 -3.729 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.941 -1.024 0.348 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -6.842 -1.638 1.243 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -6.752 -1.368 2.612 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.781 -0.499 3.097 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.876 0.123 2.231 0.00 0.00 +0.026 A ATOM 36 C LIG 1 -4.250 -0.106 -2.726 0.00 0.00 +0.026 A ATOM 37 C LIG 1 -4.976 -0.153 0.856 0.00 0.00 +0.050 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8