REMARK Name = BDB046756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.581 -0.145 -0.631 0.00 0.00 -0.279 N ATOM 2 H LIG 1 -0.463 0.142 0.336 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.334 -1.022 -1.176 0.00 0.00 +0.248 C ATOM 4 O LIG 1 0.269 -1.553 -2.278 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -2.545 1.225 -0.415 0.00 0.00 +0.142 A ATOM 6 C LIG 1 -1.754 0.377 -1.223 0.00 0.00 +0.076 A ATOM 7 C LIG 1 -2.145 0.101 -2.537 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -3.322 0.656 -3.053 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -4.101 1.493 -2.245 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -3.716 1.778 -0.932 0.00 0.00 +0.048 A BRANCH 8 11 ATOM 11 C LIG 1 -3.781 0.388 -4.449 0.00 0.00 +0.160 C ATOM 12 O LIG 1 -4.801 0.931 -4.869 0.00 0.00 -0.292 OA ATOM 13 C LIG 1 -2.980 -0.545 -5.319 0.00 0.00 +0.091 C ENDBRANCH 8 11 BRANCH 5 14 ATOM 14 O LIG 1 -2.066 1.436 0.856 0.00 0.00 -0.490 OA BRANCH 14 16 ATOM 15 C LIG 1 -2.089 2.392 3.035 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -2.817 2.301 1.706 0.00 0.00 +0.226 C ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 6 BRANCH 3 17 ATOM 17 C LIG 1 1.487 -1.356 -0.293 0.00 0.00 +0.038 A ATOM 18 C LIG 1 2.041 -2.638 -0.373 0.00 0.00 +0.028 A ATOM 19 C LIG 1 3.124 -2.985 0.441 0.00 0.00 +0.060 A ATOM 20 C LIG 1 3.657 -2.042 1.334 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.114 -0.751 1.421 0.00 0.00 -0.020 A ATOM 22 C LIG 1 2.038 -0.412 0.585 0.00 0.00 +0.019 A BRANCH 19 23 ATOM 23 C LIG 1 3.676 -4.357 0.328 0.00 0.00 +0.337 C ATOM 24 O LIG 1 3.250 -5.242 -0.389 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 4.742 -4.557 1.124 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 4.992 -5.488 0.942 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 BRANCH 21 27 ATOM 27 C LIG 1 3.723 0.269 2.353 0.00 0.00 +0.194 C BRANCH 27 28 ATOM 28 O LIG 1 2.690 1.075 2.918 0.00 0.00 -0.378 OA ATOM 29 C LIG 1 3.220 2.060 3.795 0.00 0.00 +0.194 C ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 3 17 TORSDOF 9