REMARK Name = BDB036478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.233 -1.433 0.052 0.00 0.00 +0.142 A ATOM 2 C LIG 1 -2.083 -0.343 -0.276 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -1.729 0.522 -1.311 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.509 0.281 -1.945 0.00 0.00 +0.171 A ATOM 5 C LIG 1 0.366 -0.747 -1.636 0.00 0.00 +0.068 A ATOM 6 C LIG 1 1.437 -0.559 -2.555 0.00 0.00 +0.188 A ATOM 7 N LIG 1 1.201 0.479 -3.366 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -0.010 1.008 -2.974 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -0.015 -1.641 -0.618 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -0.860 -3.302 1.498 0.00 0.00 +0.277 C ATOM 11 O LIG 1 -1.719 -2.252 1.055 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 -3.261 -0.251 0.425 0.00 0.00 -0.297 N ATOM 13 H LIG 1 -3.432 -1.095 0.972 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 -4.201 0.858 0.573 0.00 0.00 +0.119 A ATOM 15 N LIG 1 -5.498 0.713 1.129 0.00 0.00 -0.276 N ATOM 16 C LIG 1 -6.161 -0.490 1.567 0.00 0.00 +0.172 C ATOM 17 N LIG 1 -6.148 2.095 1.145 0.00 0.00 -0.301 N ATOM 18 H LIG 1 -7.088 2.293 1.491 0.00 0.00 +0.187 HD ATOM 19 C LIG 1 -5.203 2.989 0.620 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -5.400 4.436 0.470 0.00 0.00 +0.065 C ATOM 21 C LIG 1 -3.991 2.263 0.266 0.00 0.00 +0.065 A ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 22 ATOM 22 N LIG 1 2.612 -1.274 -2.748 0.00 0.00 -0.196 N ATOM 23 H LIG 1 3.218 -0.893 -3.475 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 3.522 -1.973 -1.528 0.00 0.00 +0.081 S ATOM 25 O LIG 1 2.754 -3.084 -1.005 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 4.844 -2.213 -2.071 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 3.686 -0.692 -0.307 0.00 0.00 +0.191 A ATOM 28 C LIG 1 4.227 0.549 -0.698 0.00 0.00 +0.150 A ATOM 29 C LIG 1 4.351 1.570 0.253 0.00 0.00 +0.048 A ATOM 30 C LIG 1 3.957 1.362 1.575 0.00 0.00 +0.007 A ATOM 31 C LIG 1 3.439 0.130 1.960 0.00 0.00 +0.048 A ATOM 32 C LIG 1 3.322 -0.905 1.027 0.00 0.00 +0.150 A BRANCH 28 33 ATOM 33 O LIG 1 4.567 0.708 -2.015 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 5.467 1.765 -2.337 0.00 0.00 +0.277 C ENDBRANCH 28 33 BRANCH 32 35 ATOM 35 O LIG 1 2.776 -2.075 1.477 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 3.791 -2.923 2.023 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 8