REMARK Name = BDB046430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.582 -2.728 2.512 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.887 -2.933 1.167 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -0.510 -2.643 1.290 0.00 0.00 -0.492 OA BRANCH 3 5 ATOM 4 C LIG 1 -2.231 -1.457 0.177 0.00 0.00 -0.005 A ATOM 5 C LIG 1 -0.940 -1.463 0.736 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -0.186 -0.288 0.763 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.683 0.889 0.203 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -1.953 0.925 -0.384 0.00 0.00 -0.017 A ATOM 9 C LIG 1 -2.712 -0.259 -0.385 0.00 0.00 +0.015 A BRANCH 8 10 ATOM 10 C LIG 1 -2.477 2.172 -0.966 0.00 0.00 -0.018 A ATOM 11 C LIG 1 -3.728 2.683 -0.577 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -4.219 3.876 -1.115 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.466 4.580 -2.051 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -2.224 4.091 -2.450 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -1.736 2.898 -1.913 0.00 0.00 +0.008 A ENDBRANCH 8 10 BRANCH 4 16 ATOM 16 C LIG 1 -3.041 -2.740 0.187 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 -5.172 -4.016 -0.247 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -4.471 -2.671 -0.360 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 4 16 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 3.089 -2.980 2.446 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 3.741 -2.266 1.390 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 3.744 -0.901 1.468 0.00 0.00 +0.121 A ATOM 22 C LIG 1 3.647 -0.239 0.241 0.00 0.00 +0.057 A ATOM 23 C LIG 1 3.578 1.159 0.180 0.00 0.00 +0.026 A ATOM 24 C LIG 1 3.627 1.887 1.374 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.772 1.228 2.599 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.836 -0.165 2.646 0.00 0.00 +0.046 A BRANCH 23 27 ATOM 27 C LIG 1 3.398 1.842 -1.097 0.00 0.00 +0.200 A ATOM 28 C LIG 1 4.017 1.656 -2.262 0.00 0.00 +0.240 A ATOM 29 N LIG 1 3.457 2.495 -3.140 0.00 0.00 -0.259 N ATOM 30 H LIG 1 3.697 2.583 -4.113 0.00 0.00 +0.175 HD ATOM 31 C LIG 1 2.475 3.214 -2.507 0.00 0.00 +0.421 A ATOM 32 O LIG 1 1.755 4.051 -3.027 0.00 0.00 -0.223 OA ATOM 33 O LIG 1 2.405 2.847 -1.168 0.00 0.00 -0.404 OA BRANCH 28 34 ATOM 34 O LIG 1 5.017 0.835 -2.643 0.00 0.00 -0.491 OA ATOM 35 H LIG 1 5.351 0.384 -1.845 0.00 0.00 +0.294 HD ENDBRANCH 28 34 ENDBRANCH 23 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11