REMARK Name = BDB028648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.509 -0.657 -1.311 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.894 -0.797 -1.148 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.016 -1.591 -0.025 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.227 -2.003 0.520 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.391 -1.565 -0.135 0.00 0.00 -0.019 A ATOM 6 C LIG 1 3.296 -0.748 -1.281 0.00 0.00 +0.052 A ATOM 7 O LIG 1 -0.221 -1.893 0.451 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 2.054 -0.351 -1.812 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.181 -1.301 -0.353 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.095 0.089 -2.322 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -0.501 0.578 -2.987 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -2.728 0.123 -2.659 0.00 0.00 +0.077 S ATOM 13 O LIG 1 -3.170 -1.247 -2.803 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -2.868 1.068 -3.751 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 -4.588 0.400 -0.618 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -3.440 0.895 -1.231 0.00 0.00 +0.150 A ATOM 17 C LIG 1 -2.813 2.041 -0.717 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -3.329 2.677 0.414 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.477 2.181 1.041 0.00 0.00 -0.047 A ATOM 20 C LIG 1 -5.064 2.889 2.227 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -5.114 1.054 0.503 0.00 0.00 +0.051 A BRANCH 15 23 ATOM 22 C LIG 1 -5.106 -1.829 -0.358 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -5.292 -0.648 -1.142 0.00 0.00 -0.493 OA ENDBRANCH 15 23 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 8 24 ATOM 24 O LIG 1 1.877 0.444 -2.912 0.00 0.00 -0.494 OA ATOM 25 C LIG 1 3.032 0.748 -3.686 0.00 0.00 +0.277 C ENDBRANCH 8 24 BRANCH 5 26 ATOM 26 C LIG 1 4.745 -1.964 0.409 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 5.074 -1.222 1.618 0.00 0.00 -0.267 N ATOM 28 N LIG 1 4.864 -1.777 2.829 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 5.283 -0.840 3.684 0.00 0.00 +0.134 A ATOM 30 C LIG 1 5.771 0.304 3.027 0.00 0.00 +0.041 A ATOM 31 C LIG 1 5.630 0.026 1.688 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7