REMARK Name = BDB063976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.392 0.675 0.606 0.00 0.00 +0.188 C ATOM 2 N LIG 1 -0.024 1.929 0.265 0.00 0.00 -0.253 N ATOM 3 H LIG 1 0.882 2.358 0.400 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 -1.109 2.602 -0.192 0.00 0.00 +0.269 C ATOM 5 O LIG 1 -1.195 3.754 -0.565 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 -2.176 1.567 -0.111 0.00 0.00 +0.130 C ATOM 7 C LIG 1 -3.438 1.824 -0.478 0.00 0.00 +0.041 C ATOM 8 N LIG 1 -1.646 0.402 0.401 0.00 0.00 -0.213 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -4.576 0.891 -0.425 0.00 0.00 -0.022 A ATOM 10 C LIG 1 -4.435 -0.476 -0.710 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -5.574 -1.300 -0.673 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -6.842 -0.796 -0.375 0.00 0.00 +0.078 A ATOM 13 N LIG 1 -7.869 -1.727 -0.377 0.00 0.00 -0.247 NA ATOM 14 C LIG 1 -7.383 -2.911 -0.672 0.00 0.00 +0.157 A ATOM 15 C LIG 1 -6.974 0.579 -0.107 0.00 0.00 +0.029 A ATOM 16 S LIG 1 -5.699 -2.995 -0.965 0.00 0.00 -0.075 S ATOM 17 C LIG 1 -5.845 1.407 -0.140 0.00 0.00 +0.010 A ENDBRANCH 7 9 BRANCH 1 18 ATOM 18 N LIG 1 0.467 -0.241 1.127 0.00 0.00 -0.304 N ATOM 19 H LIG 1 0.009 -1.142 1.234 0.00 0.00 +0.150 HD BRANCH 18 20 ATOM 20 C LIG 1 1.907 -0.350 0.853 0.00 0.00 +0.186 C BRANCH 20 21 ATOM 21 C LIG 1 2.682 0.852 1.403 0.00 0.00 +0.328 C ATOM 22 O LIG 1 2.552 2.004 0.999 0.00 0.00 -0.249 OA BRANCH 21 24 ATOM 23 C LIG 1 4.296 1.531 2.960 0.00 0.00 +0.280 C ATOM 24 O LIG 1 3.526 0.466 2.401 0.00 0.00 -0.467 OA ENDBRANCH 21 24 ENDBRANCH 20 21 BRANCH 20 25 ATOM 25 C LIG 1 2.172 -0.524 -0.651 0.00 0.00 +0.069 C BRANCH 25 26 ATOM 26 C LIG 1 3.594 -0.939 -0.948 0.00 0.00 -0.045 A ATOM 27 C LIG 1 3.981 -2.282 -0.835 0.00 0.00 +0.004 A ATOM 28 C LIG 1 5.302 -2.659 -1.082 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.246 -1.700 -1.442 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.872 -0.363 -1.557 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.552 0.018 -1.312 0.00 0.00 +0.004 A ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 7