REMARK Name = BDB013586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.315 -1.744 4.084 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.173 -1.454 3.152 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.171 -1.865 1.810 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.953 -1.571 1.016 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -2.043 -0.826 1.470 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.007 -0.399 2.803 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.923 -0.717 3.631 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.329 -2.553 1.109 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 1.993 -1.607 0.159 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 1.975 -2.099 -1.479 0.00 0.00 +0.065 S ATOM 11 O LIG 1 3.118 -2.955 -1.708 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 0.636 -2.577 -1.785 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 2.190 -0.597 -2.390 0.00 0.00 +0.147 A ATOM 14 C LIG 1 3.314 0.200 -2.204 0.00 0.00 +0.147 A ATOM 15 C LIG 1 3.511 1.334 -2.996 0.00 0.00 +0.047 A ATOM 16 C LIG 1 2.555 1.700 -3.944 0.00 0.00 +0.004 A ATOM 17 C LIG 1 1.409 0.925 -4.109 0.00 0.00 +0.002 A ATOM 18 O LIG 1 4.274 -0.069 -1.273 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 3.770 0.170 0.051 0.00 0.00 +0.186 C ATOM 20 C LIG 1 4.926 0.770 0.848 0.00 0.00 +0.053 C ATOM 21 C LIG 1 1.227 -0.226 -3.340 0.00 0.00 +0.032 A ATOM 22 C LIG 1 3.319 -1.150 0.683 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 -3.222 -0.448 0.574 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 -3.324 1.033 0.170 0.00 0.00 -0.036 A ATOM 25 C LIG 1 -2.253 1.868 -0.225 0.00 0.00 -0.045 A ATOM 26 C LIG 1 -0.812 1.435 -0.281 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -2.517 3.214 -0.562 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -3.812 3.736 -0.539 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -4.872 2.916 -0.170 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.628 1.586 0.178 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -4.046 5.105 -0.893 0.00 0.00 +0.099 C ATOM 32 N LIG 1 -4.237 6.215 -1.174 0.00 0.00 -0.191 NA ENDBRANCH 28 31 ENDBRANCH 23 24 BRANCH 23 33 ATOM 33 C LIG 1 -3.607 -1.412 -0.575 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 -2.627 -1.526 -1.713 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -2.233 -0.634 -2.442 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -2.162 -2.788 -1.837 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -1.322 -2.729 -2.353 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 5 23 TORSDOF 8