REMARK Name = BDB062278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.731 -1.065 0.311 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -0.244 -0.571 1.192 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.205 -1.415 1.780 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.158 -2.783 1.474 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -0.198 -3.297 0.606 0.00 0.00 +0.047 A ATOM 6 C LIG 1 0.742 -2.439 0.030 0.00 0.00 +0.015 A ENDROOT BRANCH 1 15 ATOM 7 O LIG 1 2.310 2.871 -1.955 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 2.597 1.801 -1.429 0.00 0.00 +0.238 A ATOM 9 C LIG 1 3.958 1.238 -1.318 0.00 0.00 +0.109 A ATOM 10 C LIG 1 4.095 -0.003 -0.700 0.00 0.00 +0.147 A ATOM 11 C LIG 1 5.355 -0.592 -0.564 0.00 0.00 +0.096 A ATOM 12 C LIG 1 6.495 0.054 -1.046 0.00 0.00 +0.166 A ATOM 13 C LIG 1 6.366 1.298 -1.666 0.00 0.00 +0.095 A ATOM 14 O LIG 1 3.040 -0.721 -0.196 0.00 0.00 -0.451 OA ATOM 15 C LIG 1 1.763 -0.186 -0.281 0.00 0.00 +0.181 A ATOM 16 C LIG 1 5.101 1.886 -1.801 0.00 0.00 +0.135 A ATOM 17 C LIG 1 1.488 0.997 -0.855 0.00 0.00 +0.208 A BRANCH 16 18 ATOM 18 O LIG 1 5.004 3.104 -2.410 0.00 0.00 -0.506 OA ATOM 19 H LIG 1 5.871 3.406 -2.727 0.00 0.00 +0.292 HD ENDBRANCH 16 18 BRANCH 17 20 ATOM 20 O LIG 1 0.216 1.530 -0.970 0.00 0.00 -0.501 OA ATOM 21 H LIG 1 0.348 2.381 -1.444 0.00 0.00 +0.292 HD ENDBRANCH 17 20 BRANCH 12 22 ATOM 22 O LIG 1 7.671 -0.625 -0.849 0.00 0.00 -0.325 OA BRANCH 22 23 ATOM 23 S LIG 1 9.106 -0.077 -1.384 0.00 0.00 +0.251 S ATOM 24 O LIG 1 9.478 1.078 -0.596 0.00 0.00 -0.108 OA ATOM 25 O LIG 1 9.097 -0.043 -2.829 0.00 0.00 -0.108 OA BRANCH 23 26 ATOM 26 O LIG 1 10.121 -1.242 -0.925 0.00 0.00 -0.222 OA ATOM 27 H LIG 1 10.438 -1.023 -0.025 0.00 0.00 +0.248 HD ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 12 22 ENDBRANCH 1 15 BRANCH 3 28 ATOM 28 C LIG 1 -2.230 -0.846 2.678 0.00 0.00 +0.070 A ATOM 29 C LIG 1 -3.334 -0.139 2.151 0.00 0.00 +0.154 A ATOM 30 C LIG 1 -4.289 0.454 2.988 0.00 0.00 +0.106 A ATOM 31 C LIG 1 -5.409 1.189 2.354 0.00 0.00 +0.197 A ATOM 32 C LIG 1 -5.427 1.227 0.882 0.00 0.00 +0.098 A ATOM 33 C LIG 1 -4.469 0.602 0.189 0.00 0.00 +0.139 A ATOM 34 O LIG 1 -6.305 1.756 2.964 0.00 0.00 -0.287 OA ATOM 35 C LIG 1 -4.149 0.336 4.377 0.00 0.00 +0.135 A ATOM 36 C LIG 1 -3.075 -0.370 4.918 0.00 0.00 +0.092 A ATOM 37 O LIG 1 -3.418 -0.074 0.777 0.00 0.00 -0.454 OA ATOM 38 C LIG 1 -2.136 -0.959 4.075 0.00 0.00 +0.132 A BRANCH 33 39 ATOM 39 C LIG 1 -4.435 0.598 -1.290 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -3.201 0.606 -1.961 0.00 0.00 +0.015 A ATOM 41 C LIG 1 -3.141 0.590 -3.357 0.00 0.00 +0.046 A ATOM 42 C LIG 1 -4.316 0.556 -4.095 0.00 0.00 +0.117 A ATOM 43 C LIG 1 -5.552 0.533 -3.459 0.00 0.00 +0.046 A ATOM 44 C LIG 1 -5.609 0.550 -2.061 0.00 0.00 +0.015 A BRANCH 42 45 ATOM 45 O LIG 1 -4.215 0.540 -5.454 0.00 0.00 -0.507 OA ATOM 46 H LIG 1 -5.109 0.540 -5.832 0.00 0.00 +0.292 HD ENDBRANCH 42 45 ENDBRANCH 33 39 BRANCH 35 47 ATOM 47 O LIG 1 -5.054 0.902 5.228 0.00 0.00 -0.506 OA ATOM 48 H LIG 1 -4.806 0.727 6.149 0.00 0.00 +0.292 HD ENDBRANCH 35 47 BRANCH 38 49 ATOM 49 O LIG 1 -1.127 -1.646 4.696 0.00 0.00 -0.506 OA ATOM 50 H LIG 1 -0.708 -2.224 4.033 0.00 0.00 +0.292 HD ENDBRANCH 38 49 ENDBRANCH 3 28 BRANCH 4 51 ATOM 51 O LIG 1 -2.061 -3.625 2.062 0.00 0.00 -0.506 OA ATOM 52 H LIG 1 -2.042 -4.480 1.601 0.00 0.00 +0.292 HD ENDBRANCH 4 51 TORSDOF 12