REMARK Name = BDB009181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.431 -2.872 1.366 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.819 -2.306 1.072 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.833 -3.060 0.458 0.00 0.00 -0.045 A ATOM 4 C LIG 1 -1.578 -4.396 0.128 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.336 -4.964 0.411 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.662 -4.207 1.032 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 3.273 -3.410 2.107 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 2.676 -2.366 2.364 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.378 -2.043 2.005 0.00 0.00 -0.284 N ATOM 10 H LIG 1 1.092 -1.082 2.154 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 3.394 -1.226 3.092 0.00 0.00 +0.203 C BRANCH 11 12 ATOM 12 N LIG 1 4.464 -0.739 2.253 0.00 0.00 -0.273 N ATOM 13 H LIG 1 5.267 -1.335 2.086 0.00 0.00 +0.153 HD ATOM 14 C LIG 1 4.233 0.202 1.293 0.00 0.00 +0.401 C ATOM 15 O LIG 1 3.187 0.826 1.166 0.00 0.00 -0.226 OA BRANCH 14 16 ATOM 16 O LIG 1 5.327 0.302 0.505 0.00 0.00 -0.446 OA BRANCH 16 17 ATOM 17 C LIG 1 5.256 1.284 -0.538 0.00 0.00 +0.269 C BRANCH 17 18 ATOM 18 C LIG 1 5.972 2.535 -0.099 0.00 0.00 -0.010 A ATOM 19 C LIG 1 7.375 2.600 -0.133 0.00 0.00 +0.007 A ATOM 20 C LIG 1 8.040 3.751 0.295 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.311 4.839 0.776 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.917 4.782 0.824 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.250 3.633 0.394 0.00 0.00 +0.007 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 -3.174 -2.441 0.152 0.00 0.00 +0.041 C BRANCH 24 25 ATOM 25 C LIG 1 -3.353 -2.170 -1.341 0.00 0.00 +0.062 C BRANCH 25 26 ATOM 26 C LIG 1 -4.679 -1.461 -1.571 0.00 0.00 +0.065 A ATOM 27 C LIG 1 -4.728 0.034 -1.587 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -3.473 0.853 -1.441 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -3.687 2.356 -1.667 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.991 2.834 -1.039 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.183 2.080 -1.633 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.946 0.595 -1.699 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -7.146 -0.261 -1.871 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -8.264 0.217 -2.027 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.926 -1.612 -1.844 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -7.732 -2.217 -1.966 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -5.722 -2.224 -1.689 0.00 0.00 -0.176 NA ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 9