REMARK Name = BDB060091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.588 -0.621 1.621 0.00 0.00 +0.136 A ATOM 2 C LIG 1 -1.536 0.243 1.298 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -0.339 -0.331 0.847 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.163 -1.710 0.721 0.00 0.00 +0.131 A ATOM 5 N LIG 1 1.118 -1.979 0.289 0.00 0.00 -0.225 NA ATOM 6 C LIG 1 1.713 -0.816 0.117 0.00 0.00 +0.148 A ATOM 7 C LIG 1 -1.235 -2.572 1.051 0.00 0.00 +0.152 A ATOM 8 N LIG 1 0.862 0.213 0.452 0.00 0.00 -0.328 N ATOM 9 C LIG 1 1.172 1.621 0.388 0.00 0.00 +0.150 C ATOM 10 C LIG 1 -2.433 -2.003 1.512 0.00 0.00 +0.094 A ENDROOT BRANCH 1 11 ATOM 11 O LIG 1 -3.790 -0.200 2.150 0.00 0.00 -0.438 OA BRANCH 11 17 ATOM 12 C LIG 1 -5.984 4.741 0.618 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.370 3.452 1.065 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -5.450 3.031 2.394 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.897 1.805 2.777 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -4.997 1.322 4.190 0.00 0.00 +0.049 C ATOM 17 C LIG 1 -4.281 1.042 1.785 0.00 0.00 +0.223 A ATOM 18 N LIG 1 -4.210 1.409 0.484 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 -4.756 2.599 0.156 0.00 0.00 +0.118 A ENDBRANCH 11 17 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 3.127 -0.629 -0.333 0.00 0.00 +0.303 C BRANCH 20 21 ATOM 21 O LIG 1 3.107 0.225 -1.476 0.00 0.00 -0.484 OA BRANCH 21 22 ATOM 22 C LIG 1 4.311 0.491 -2.071 0.00 0.00 +0.122 A ATOM 23 C LIG 1 4.224 1.226 -3.256 0.00 0.00 +0.060 A ATOM 24 C LIG 1 5.379 1.569 -3.969 0.00 0.00 +0.062 A ATOM 25 C LIG 1 6.631 1.173 -3.488 0.00 0.00 +0.015 A ATOM 26 C LIG 1 6.722 0.445 -2.301 0.00 0.00 +0.004 A ATOM 27 C LIG 1 5.566 0.105 -1.593 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 5.225 2.344 -5.224 0.00 0.00 +0.337 C ATOM 29 O LIG 1 4.174 2.700 -5.722 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 6.405 2.642 -5.795 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 6.157 3.130 -6.609 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 BRANCH 7 32 ATOM 32 O LIG 1 -1.258 -3.962 1.019 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 -0.152 -4.636 0.408 0.00 0.00 +0.167 C ATOM 34 C LIG 1 0.908 -4.946 1.460 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -0.709 -5.939 -0.164 0.00 0.00 +0.051 C ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 9