REMARK Name = BDB048694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.175 2.264 0.459 0.00 0.00 -0.281 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.956 3.347 0.697 0.00 0.00 +0.291 A ATOM 3 O LIG 1 -0.414 4.589 0.477 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -1.416 5.456 0.794 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -2.509 4.708 1.190 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -3.682 5.370 1.572 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -3.692 6.773 1.532 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.561 7.493 1.125 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -1.381 6.843 0.740 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -2.204 3.374 1.122 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 1.076 2.423 -0.281 0.00 0.00 +0.144 C BRANCH 11 14 ATOM 12 C LIG 1 3.420 -0.575 -0.015 0.00 0.00 +0.122 A ATOM 13 C LIG 1 2.494 0.334 -0.520 0.00 0.00 +0.051 A ATOM 14 C LIG 1 2.140 1.471 0.225 0.00 0.00 -0.027 A ATOM 15 C LIG 1 2.760 1.696 1.463 0.00 0.00 +0.005 A ATOM 16 C LIG 1 3.730 0.813 1.938 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.064 -0.318 1.194 0.00 0.00 +0.046 A BRANCH 12 18 ATOM 18 O LIG 1 3.779 -1.716 -0.675 0.00 0.00 -0.475 OA BRANCH 18 20 ATOM 19 C LIG 1 3.553 -4.021 -1.063 0.00 0.00 +0.067 C ATOM 20 C LIG 1 2.758 -2.715 -0.884 0.00 0.00 +0.200 C ATOM 21 C LIG 1 1.828 -2.883 0.334 0.00 0.00 +0.067 C BRANCH 20 22 ATOM 22 C LIG 1 1.969 -2.501 -2.200 0.00 0.00 +0.348 C ATOM 23 O LIG 1 2.227 -1.651 -3.044 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 0.945 -3.365 -2.406 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 0.769 -4.008 -1.693 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -0.845 0.958 0.427 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -1.688 0.773 -0.839 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -1.799 -0.694 -1.252 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -2.198 -1.479 -0.130 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.137 -2.837 -0.287 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -2.107 -3.514 -1.506 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -2.039 -4.910 -1.534 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.010 -5.635 -0.343 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.056 -4.964 0.877 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.124 -3.569 0.902 0.00 0.00 +0.045 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12