REMARK Name = BDB003665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.695 -3.037 1.981 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.609 -2.103 1.522 0.00 0.00 -0.024 A ATOM 3 C LIG 1 0.785 -1.156 0.491 0.00 0.00 +0.109 A ATOM 4 C LIG 1 -0.277 -0.332 0.088 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.512 -0.440 0.727 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.714 -1.385 1.730 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.658 -2.208 2.125 0.00 0.00 +0.006 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.651 0.407 0.298 0.00 0.00 +0.100 A ATOM 9 C LIG 1 -2.591 1.895 0.524 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -3.673 2.654 0.051 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -3.692 4.041 0.218 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -2.634 4.673 0.871 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -1.567 3.922 1.363 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -4.756 1.941 -0.583 0.00 0.00 +0.186 A ATOM 15 N LIG 1 -4.689 0.572 -0.691 0.00 0.00 -0.189 N ATOM 16 C LIG 1 -5.859 0.202 -1.317 0.00 0.00 +0.220 A ATOM 17 N LIG 1 -6.579 1.286 -1.559 0.00 0.00 -0.124 NA ATOM 18 N LIG 1 -5.882 2.382 -1.098 0.00 0.00 -0.127 NA ATOM 19 C LIG 1 -1.544 2.534 1.198 0.00 0.00 +0.011 A ATOM 20 N LIG 1 -3.654 -0.220 -0.259 0.00 0.00 -0.162 NA BRANCH 16 21 ATOM 21 C LIG 1 -6.261 -1.129 -1.661 0.00 0.00 +0.173 A ATOM 22 O LIG 1 -7.481 -1.391 -2.240 0.00 0.00 -0.460 OA ATOM 23 C LIG 1 -7.573 -2.727 -2.449 0.00 0.00 +0.196 A ATOM 24 C LIG 1 -6.434 -3.358 -2.019 0.00 0.00 +0.042 A ATOM 25 C LIG 1 -5.592 -2.336 -1.514 0.00 0.00 +0.053 A ENDBRANCH 16 21 ENDBRANCH 5 8 BRANCH 3 26 ATOM 26 S LIG 1 2.337 -0.975 -0.373 0.00 0.00 +0.059 S ATOM 27 O LIG 1 2.162 0.014 -1.414 0.00 0.00 -0.153 OA ATOM 28 O LIG 1 2.862 -2.291 -0.660 0.00 0.00 -0.153 OA BRANCH 26 29 ATOM 29 N LIG 1 3.294 -0.229 0.809 0.00 0.00 -0.187 NA ATOM 30 H LIG 1 3.283 0.782 0.621 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 4.722 -0.665 0.848 0.00 0.00 +0.137 C BRANCH 31 32 ATOM 32 C LIG 1 5.493 -0.088 -0.341 0.00 0.00 +0.134 C ATOM 33 O LIG 1 5.400 1.354 -0.314 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 6.668 1.893 -0.723 0.00 0.00 +0.160 C ATOM 35 C LIG 1 7.536 0.724 -1.144 0.00 0.00 +0.031 C ATOM 36 C LIG 1 6.978 -0.404 -0.313 0.00 0.00 +0.035 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 26 29 ENDBRANCH 3 26 TORSDOF 6