REMARK Name = BDB057749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.381 -0.912 -1.340 0.00 0.00 +0.162 C ATOM 2 N LIG 1 -1.173 -0.186 -2.337 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -2.104 0.825 -2.209 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -2.410 1.507 -3.196 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -0.748 -0.570 -3.679 0.00 0.00 +0.109 C ATOM 6 C LIG 1 0.189 -1.760 -3.495 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.079 -2.224 -2.065 0.00 0.00 +0.033 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.637 -0.803 0.052 0.00 0.00 -0.304 N ATOM 9 H LIG 1 1.256 -1.624 0.501 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.957 -0.211 -0.992 0.00 0.00 +0.234 C ATOM 11 O LIG 1 1.373 0.777 -1.587 0.00 0.00 -0.274 OA BRANCH 8 13 ATOM 12 C LIG 1 2.975 1.140 0.941 0.00 0.00 +0.144 C ATOM 13 C LIG 1 2.958 -0.363 0.515 0.00 0.00 +0.132 C ATOM 14 C LIG 1 4.069 -0.816 -0.423 0.00 0.00 -0.022 A ATOM 15 C LIG 1 5.155 0.027 -0.723 0.00 0.00 -0.042 A ATOM 16 C LIG 1 6.194 -0.436 -1.544 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.159 -1.722 -2.079 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.095 -2.565 -1.782 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.246 1.406 -0.127 0.00 0.00 +0.038 C ATOM 20 C LIG 1 4.064 -2.120 -0.954 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.865 2.017 0.061 0.00 0.00 +0.038 C BRANCH 12 22 ATOM 22 O LIG 1 3.473 1.244 2.295 0.00 0.00 -0.362 OA BRANCH 22 23 ATOM 23 C LIG 1 2.461 1.539 3.260 0.00 0.00 +0.248 C BRANCH 23 25 ATOM 24 C LIG 1 0.912 -0.575 3.774 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.611 0.372 3.532 0.00 0.00 -0.077 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 12 22 ENDBRANCH 8 13 ENDBRANCH 1 10 BRANCH 3 26 ATOM 26 C LIG 1 -2.816 1.124 -0.854 0.00 0.00 +0.164 C BRANCH 26 27 ATOM 27 C LIG 1 -2.113 2.145 0.111 0.00 0.00 -0.011 C ATOM 28 C LIG 1 -1.285 1.477 1.220 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -3.178 3.018 0.820 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -1.206 3.118 -0.671 0.00 0.00 +0.013 C ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 N LIG 1 -3.234 -0.143 -0.233 0.00 0.00 -0.302 N ATOM 32 H LIG 1 -2.972 -0.977 -0.743 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 -4.447 -0.273 0.433 0.00 0.00 +0.230 C ATOM 34 O LIG 1 -5.218 0.655 0.639 0.00 0.00 -0.274 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.712 -1.728 0.892 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -6.102 -1.896 1.499 0.00 0.00 +0.034 C BRANCH 35 37 ATOM 37 N LIG 1 -3.599 -2.191 1.764 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 -2.725 -1.880 1.343 0.00 0.00 +0.122 HD ATOM 39 C LIG 1 -3.659 -1.637 3.115 0.00 0.00 +0.101 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 26 31 ENDBRANCH 3 26 TORSDOF 10