REMARK Name = BDB026483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.399 1.266 -1.897 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 -0.312 0.889 -0.740 0.00 0.00 +0.305 C ATOM 3 N LIG 1 -0.807 -0.311 -0.246 0.00 0.00 -0.281 N ATOM 4 C LIG 1 -0.665 -0.378 1.193 0.00 0.00 +0.128 C ATOM 5 C LIG 1 0.319 0.744 1.503 0.00 0.00 +0.128 C ATOM 6 N LIG 1 0.262 1.577 0.322 0.00 0.00 -0.280 N ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.567 -1.292 -1.010 0.00 0.00 +0.142 C BRANCH 7 8 ATOM 8 C LIG 1 -2.904 -0.799 -1.603 0.00 0.00 +0.146 C BRANCH 8 9 ATOM 9 O LIG 1 -2.690 0.060 -2.732 0.00 0.00 -0.389 OA ATOM 10 H LIG 1 -1.903 0.618 -2.543 0.00 0.00 +0.210 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C LIG 1 -3.841 -0.094 -0.597 0.00 0.00 +0.117 C BRANCH 11 12 ATOM 12 N LIG 1 -4.190 -0.885 0.601 0.00 0.00 -0.295 NA ATOM 13 C LIG 1 -5.105 -2.006 0.306 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -6.552 -1.620 0.084 0.00 0.00 -0.030 A ATOM 15 C LIG 1 -7.066 -0.413 0.592 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -8.418 -0.099 0.404 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -9.262 -0.985 -0.264 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.761 -2.189 -0.753 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.152 0.571 1.276 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -7.414 -2.508 -0.577 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -4.794 -0.043 1.651 0.00 0.00 +0.089 C ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 3 7 BRANCH 6 22 ATOM 22 C LIG 1 1.044 2.784 0.165 0.00 0.00 +0.144 C BRANCH 22 23 ATOM 23 C LIG 1 2.519 2.503 0.005 0.00 0.00 -0.030 A ATOM 24 C LIG 1 3.022 2.055 -1.227 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.382 1.780 -1.383 0.00 0.00 +0.029 A ATOM 26 C LIG 1 5.242 1.942 -0.296 0.00 0.00 +0.105 A ATOM 27 C LIG 1 4.760 2.391 0.937 0.00 0.00 +0.029 A ATOM 28 C LIG 1 3.400 2.667 1.086 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 S LIG 1 6.975 1.604 -0.469 0.00 0.00 +0.061 S ATOM 30 O LIG 1 7.696 2.655 0.218 0.00 0.00 -0.153 OA ATOM 31 O LIG 1 7.254 1.286 -1.854 0.00 0.00 -0.153 OA BRANCH 29 32 ATOM 32 N LIG 1 7.153 0.174 0.430 0.00 0.00 -0.177 NA ATOM 33 C LIG 1 8.560 -0.205 0.719 0.00 0.00 +0.109 C ATOM 34 C LIG 1 8.502 -1.712 0.911 0.00 0.00 +0.018 C ATOM 35 C LIG 1 7.494 -2.129 -0.140 0.00 0.00 +0.018 C ATOM 36 C LIG 1 6.437 -1.035 -0.062 0.00 0.00 +0.109 C ENDBRANCH 29 32 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 9