REMARK Name = BDB044783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.619 -1.081 0.387 0.00 0.00 +0.134 C ATOM 2 C LIG 1 -0.696 -0.475 0.112 0.00 0.00 +0.209 C ATOM 3 O LIG 1 -1.764 -1.036 0.295 0.00 0.00 -0.286 OA ATOM 4 C LIG 1 -0.534 0.883 -0.462 0.00 0.00 +0.062 C ATOM 5 C LIG 1 -1.490 1.773 -0.770 0.00 0.00 +0.027 C ATOM 6 S LIG 1 1.139 1.240 -0.694 0.00 0.00 -0.069 S ATOM 7 C LIG 1 1.657 -0.292 0.026 0.00 0.00 +0.088 C ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.940 1.613 -0.613 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -3.651 0.634 -1.317 0.00 0.00 +0.057 A ATOM 10 C LIG 1 -5.038 0.518 -1.167 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -5.729 1.417 -0.333 0.00 0.00 +0.163 A ATOM 12 C LIG 1 -5.021 2.406 0.354 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -3.634 2.502 0.214 0.00 0.00 +0.012 A BRANCH 10 14 ATOM 14 O LIG 1 -5.811 -0.422 -1.808 0.00 0.00 -0.491 OA ATOM 15 C LIG 1 -5.127 -1.553 -2.335 0.00 0.00 +0.277 C ENDBRANCH 10 14 BRANCH 11 16 ATOM 16 O LIG 1 -7.085 1.238 -0.266 0.00 0.00 -0.477 OA BRANCH 16 17 ATOM 17 C LIG 1 -7.824 2.053 0.643 0.00 0.00 +0.349 C BRANCH 17 18 ATOM 18 C LIG 1 -9.274 1.607 0.581 0.00 0.00 +0.343 C ATOM 19 O LIG 1 -10.174 2.120 1.231 0.00 0.00 -0.247 OA BRANCH 18 20 ATOM 20 O LIG 1 -9.484 0.572 -0.271 0.00 0.00 -0.478 OA ATOM 21 H LIG 1 -8.629 0.315 -0.689 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 5 8 BRANCH 1 22 ATOM 22 C LIG 1 0.823 -2.407 0.989 0.00 0.00 +0.345 C ATOM 23 O LIG 1 1.862 -3.046 0.866 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.250 -2.788 1.716 0.00 0.00 -0.461 OA BRANCH 24 26 ATOM 25 C LIG 1 -0.614 -5.160 1.401 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -0.168 -4.070 2.357 0.00 0.00 +0.229 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 7 27 ATOM 27 N LIG 1 2.984 -0.692 0.140 0.00 0.00 -0.308 N ATOM 28 H LIG 1 3.109 -1.684 0.366 0.00 0.00 +0.153 HD BRANCH 27 29 ATOM 29 C LIG 1 4.182 0.040 0.190 0.00 0.00 +0.032 A ATOM 30 C LIG 1 5.371 -0.617 -0.166 0.00 0.00 +0.027 A ATOM 31 C LIG 1 6.604 0.049 -0.182 0.00 0.00 +0.047 A ATOM 32 C LIG 1 6.674 1.396 0.157 0.00 0.00 +0.121 A ATOM 33 C LIG 1 5.498 2.062 0.502 0.00 0.00 +0.047 A ATOM 34 C LIG 1 4.267 1.394 0.515 0.00 0.00 +0.027 A BRANCH 32 35 ATOM 35 O LIG 1 7.796 2.173 0.182 0.00 0.00 -0.492 OA BRANCH 35 36 ATOM 36 C LIG 1 9.065 1.561 -0.038 0.00 0.00 +0.225 C ATOM 37 C LIG 1 9.407 1.546 -1.518 0.00 0.00 +0.048 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 7 27 TORSDOF 13