REMARK Name = BDB002761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.665 -0.265 0.243 0.00 0.00 +0.115 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.681 0.110 -0.090 0.00 0.00 -0.285 N ATOM 3 H LIG 1 1.333 1.024 -0.350 0.00 0.00 +0.155 HD ATOM 4 C LIG 1 0.739 -0.836 0.281 0.00 0.00 +0.219 C ATOM 5 O LIG 1 0.956 -1.997 0.605 0.00 0.00 -0.275 OA BRANCH 2 9 ATOM 6 C LIG 1 5.898 -0.200 -0.334 0.00 0.00 -0.037 A ATOM 7 C LIG 1 5.147 -1.297 0.105 0.00 0.00 +0.006 A ATOM 8 C LIG 1 3.752 -1.222 0.191 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.081 -0.050 -0.156 0.00 0.00 +0.033 A ATOM 10 C LIG 1 3.830 1.048 -0.594 0.00 0.00 +0.023 A ATOM 11 C LIG 1 5.223 0.974 -0.687 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 7.402 -0.291 -0.444 0.00 0.00 +0.155 C BRANCH 12 14 ATOM 13 O LIG 1 7.699 1.485 1.214 0.00 0.00 -0.251 OA ATOM 14 C LIG 1 8.171 0.619 0.495 0.00 0.00 +0.309 C BRANCH 14 15 ATOM 15 O LIG 1 9.510 0.395 0.442 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 9.774 -0.317 -0.171 0.00 0.00 +0.295 HD ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 17 ATOM 17 C LIG 1 -1.698 -1.316 0.635 0.00 0.00 +0.126 C BRANCH 17 18 ATOM 18 N LIG 1 -3.047 -0.777 0.597 0.00 0.00 -0.234 N ATOM 19 C LIG 1 -3.820 -0.732 -0.530 0.00 0.00 +0.254 C ATOM 20 O LIG 1 -3.563 -1.104 -1.658 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 -5.075 -0.085 -0.150 0.00 0.00 +0.052 A ATOM 22 C LIG 1 -4.971 0.270 1.185 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -5.992 0.917 1.854 0.00 0.00 +0.016 A ATOM 24 C LIG 1 -7.155 1.205 1.127 0.00 0.00 +0.033 A ATOM 25 C LIG 1 -7.255 0.840 -0.241 0.00 0.00 +0.127 A ATOM 26 C LIG 1 -6.203 0.186 -0.901 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -3.651 -0.152 1.653 0.00 0.00 +0.254 C ATOM 28 O LIG 1 -3.222 0.069 2.768 0.00 0.00 -0.270 OA BRANCH 25 29 ATOM 29 N LIG 1 -8.485 1.157 -0.982 0.00 0.00 +0.056 N ATOM 30 O LIG 1 -9.395 1.728 -0.366 0.00 0.00 -0.126 OA ATOM 31 O LIG 1 -8.533 0.835 -2.176 0.00 0.00 -0.126 OA ENDBRANCH 25 29 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8