REMARK Name = BDB024851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.248 -3.391 -0.914 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.857 -2.250 -0.192 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.863 -1.482 0.584 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.344 -2.274 1.814 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.389 -0.109 1.085 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.535 0.576 0.044 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.349 -0.305 -0.213 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.053 0.226 -0.381 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.638 1.533 -0.319 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.338 1.519 -0.527 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.100 0.231 -0.764 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.982 -0.616 -0.652 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.130 -1.999 -0.761 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.422 -2.517 -0.598 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.534 -1.702 -0.336 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.528 -4.085 -1.624 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.042 -4.788 -1.524 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.584 -3.655 -0.785 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.444 -0.167 -1.158 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.438 -0.176 -0.006 0.00 0.00 +0.235 C ATOM 21 N LIG 1 3.701 -0.723 -0.269 0.00 0.00 -0.300 N ATOM 22 C LIG 1 4.704 -0.614 0.791 0.00 0.00 +0.110 C ATOM 23 C LIG 1 5.744 -1.729 0.725 0.00 0.00 +0.050 C ATOM 24 C LIG 1 6.356 -1.848 -0.666 0.00 0.00 +0.118 C ATOM 25 C LIG 1 5.266 -1.985 -1.724 0.00 0.00 +0.050 C ATOM 26 C LIG 1 4.242 -0.860 -1.625 0.00 0.00 +0.110 C ATOM 27 O LIG 1 2.151 0.274 1.105 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 O LIG 1 7.142 -0.695 -0.957 0.00 0.00 -0.392 OA ATOM 29 H LIG 1 7.912 -0.707 -0.361 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.546 2.724 -0.481 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.549 3.341 0.922 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 1.688 4.242 1.119 0.00 0.00 -0.315 N ATOM 33 C LIG 1 1.623 5.532 0.594 0.00 0.00 +0.251 A ATOM 34 O LIG 1 0.673 5.986 -0.037 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 2.819 6.389 0.824 0.00 0.00 +0.070 A ATOM 36 C LIG 1 3.885 5.902 1.473 0.00 0.00 +0.007 A ATOM 37 C LIG 1 3.888 4.545 1.957 0.00 0.00 +0.018 A ATOM 38 C LIG 1 2.814 3.768 1.773 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7