REMARK Name = BDB001283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.315 -1.338 0.147 0.00 0.00 +0.040 C ATOM 2 C LIG 1 1.273 -0.201 0.105 0.00 0.00 +0.115 C ATOM 3 N LIG 1 -0.058 -0.603 0.562 0.00 0.00 -0.285 N ATOM 4 C LIG 1 -1.062 0.348 0.476 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -2.298 -0.087 0.887 0.00 0.00 -0.295 N ATOM 6 H LIG 1 -2.470 -1.038 0.596 0.00 0.00 +0.151 HD ATOM 7 O LIG 1 -0.870 1.485 0.054 0.00 0.00 -0.253 OA ATOM 8 C LIG 1 -0.111 -1.809 1.381 0.00 0.00 +0.109 C ATOM 9 C LIG 1 0.437 -3.005 0.608 0.00 0.00 +0.019 C ATOM 10 C LIG 1 1.653 -2.664 -0.263 0.00 0.00 +0.009 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.531 -0.973 -0.739 0.00 0.00 +0.153 C BRANCH 11 12 ATOM 12 C LIG 1 4.645 -2.001 -0.643 0.00 0.00 -0.019 A ATOM 13 C LIG 1 5.408 -2.136 0.528 0.00 0.00 +0.006 A ATOM 14 C LIG 1 6.424 -3.089 0.609 0.00 0.00 +0.000 A ATOM 15 C LIG 1 6.691 -3.918 -0.478 0.00 0.00 +0.000 A ATOM 16 C LIG 1 5.944 -3.794 -1.648 0.00 0.00 +0.000 A ATOM 17 C LIG 1 4.927 -2.841 -1.732 0.00 0.00 +0.006 A ENDBRANCH 11 12 BRANCH 11 18 ATOM 18 O LIG 1 4.028 0.301 -0.295 0.00 0.00 -0.372 OA BRANCH 18 19 ATOM 19 C LIG 1 4.739 1.006 -1.316 0.00 0.00 +0.163 C BRANCH 19 20 ATOM 20 C LIG 1 5.269 2.298 -0.708 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 5.971 3.176 -1.737 0.00 0.00 +0.161 C BRANCH 21 23 ATOM 22 C LIG 1 8.186 2.309 -1.666 0.00 0.00 +0.193 C ATOM 23 O LIG 1 7.006 2.489 -2.439 0.00 0.00 -0.383 OA ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 -3.466 0.807 0.822 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 -4.744 -0.052 0.968 0.00 0.00 +0.027 C BRANCH 25 26 ATOM 26 C LIG 1 -6.100 0.646 0.742 0.00 0.00 -0.009 C ATOM 27 C LIG 1 -6.217 1.257 -0.664 0.00 0.00 +0.003 C ATOM 28 C LIG 1 -7.594 1.874 -0.905 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -8.716 0.872 -0.653 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -8.614 0.261 0.739 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -7.241 -0.362 0.978 0.00 0.00 +0.003 C ENDBRANCH 25 26 ENDBRANCH 24 25 BRANCH 24 32 ATOM 32 C LIG 1 -3.353 1.918 1.904 0.00 0.00 +0.100 C BRANCH 32 33 ATOM 33 N LIG 1 -4.224 3.074 1.674 0.00 0.00 -0.328 NA ATOM 34 H LIG 1 -3.942 3.516 0.797 0.00 0.00 +0.118 HD ATOM 35 H LIG 1 -4.040 3.768 2.398 0.00 0.00 +0.118 HD ENDBRANCH 32 33 ENDBRANCH 24 32 ENDBRANCH 5 24 TORSDOF 12