REMARK Name = BDB045535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.409 -0.280 1.859 0.00 0.00 +0.303 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.353 0.547 0.976 0.00 0.00 -0.390 OA BRANCH 2 4 ATOM 3 C LIG 1 -2.431 0.799 0.182 0.00 0.00 +0.087 C ATOM 4 N LIG 1 -1.696 0.149 1.039 0.00 0.00 -0.089 NA BRANCH 3 5 ATOM 5 C LIG 1 -3.886 0.472 0.118 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -4.854 1.452 -0.111 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -6.209 1.100 -0.162 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -6.625 -0.229 0.022 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -5.640 -1.199 0.266 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -4.285 -0.854 0.318 0.00 0.00 +0.010 A BRANCH 8 11 ATOM 11 C LIG 1 -8.050 -0.592 -0.031 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -8.844 -0.249 -1.139 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -10.198 -0.593 -1.190 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -10.782 -1.286 -0.133 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -10.014 -1.635 0.975 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.660 -1.291 1.024 0.00 0.00 +0.008 A ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 3 18 ATOM 17 C LIG 1 -1.242 1.143 -1.993 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -1.875 1.831 -0.795 0.00 0.00 +0.056 C ENDBRANCH 3 18 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.855 0.204 1.866 0.00 0.00 +0.272 C BRANCH 19 20 ATOM 20 O LIG 1 2.467 -0.147 0.621 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 3.773 0.216 0.445 0.00 0.00 +0.121 A ATOM 22 C LIG 1 4.317 -0.148 -0.789 0.00 0.00 +0.046 A ATOM 23 C LIG 1 5.643 0.158 -1.103 0.00 0.00 +0.007 A ATOM 24 C LIG 1 6.447 0.842 -0.183 0.00 0.00 -0.042 A ATOM 25 C LIG 1 5.900 1.201 1.055 0.00 0.00 +0.007 A ATOM 26 C LIG 1 4.571 0.892 1.367 0.00 0.00 +0.046 A BRANCH 24 27 ATOM 27 C LIG 1 7.888 1.156 -0.515 0.00 0.00 +0.083 C BRANCH 27 28 ATOM 28 C LIG 1 8.820 0.023 -0.224 0.00 0.00 +0.058 A ATOM 29 C LIG 1 9.378 -0.819 -1.105 0.00 0.00 +0.204 A ATOM 30 N LIG 1 10.211 -1.744 -0.560 0.00 0.00 -0.287 N ATOM 31 H LIG 1 10.713 -2.455 -1.067 0.00 0.00 +0.172 HD ATOM 32 C LIG 1 10.367 -1.674 0.804 0.00 0.00 +0.291 A ATOM 33 O LIG 1 11.064 -2.397 1.494 0.00 0.00 -0.260 OA ATOM 34 S LIG 1 9.382 -0.334 1.399 0.00 0.00 -0.028 S BRANCH 29 35 ATOM 35 O LIG 1 9.178 -0.816 -2.447 0.00 0.00 -0.493 OA ATOM 36 H LIG 1 9.674 -1.562 -2.819 0.00 0.00 +0.294 HD ENDBRANCH 29 35 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11