REMARK Name = BDB008197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.760 0.106 0.629 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.496 -1.937 -0.749 0.00 0.00 -0.303 N ATOM 3 H LIG 1 -0.915 -1.332 -1.321 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -1.833 -1.436 0.493 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -2.240 -2.146 1.410 0.00 0.00 -0.274 OA BRANCH 2 7 ATOM 6 C LIG 1 -1.525 -3.782 -2.358 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.262 -3.367 -0.918 0.00 0.00 +0.156 C BRANCH 7 8 ATOM 8 C LIG 1 0.200 -3.681 -0.533 0.00 0.00 +0.231 C ATOM 9 O LIG 1 1.081 -2.828 -0.421 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 0.496 -5.004 -0.360 0.00 0.00 -0.328 N ATOM 11 H LIG 1 1.425 -5.218 -0.018 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 -0.230 -5.681 -0.164 0.00 0.00 +0.145 HD ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 N LIG 1 -0.883 0.681 -0.394 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -1.291 0.908 -1.296 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 0.484 0.606 -0.452 0.00 0.00 +0.234 C ATOM 16 O LIG 1 1.002 0.847 -1.543 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 1.283 0.209 0.810 0.00 0.00 +0.156 C ATOM 18 C LIG 1 1.500 1.402 1.730 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 N LIG 1 2.480 -0.523 0.414 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.288 -1.454 0.040 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 3.653 0.069 -0.007 0.00 0.00 +0.217 C ATOM 22 O LIG 1 3.910 1.255 0.193 0.00 0.00 -0.275 OA BRANCH 21 23 ATOM 23 C LIG 1 4.597 -0.926 -0.739 0.00 0.00 +0.075 C ATOM 24 C LIG 1 6.071 -0.497 -0.977 0.00 0.00 +0.013 C ATOM 25 C LIG 1 5.995 -1.223 -2.334 0.00 0.00 +0.001 C ATOM 26 C LIG 1 4.471 -1.004 -2.285 0.00 0.00 +0.013 C ENDBRANCH 21 23 ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 1 27 ATOM 27 C LIG 1 -3.180 0.674 0.511 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 -3.284 2.194 0.677 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 -2.858 2.686 2.061 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 -3.075 4.119 2.181 0.00 0.00 -0.356 N ATOM 31 H LIG 1 -2.419 4.661 1.631 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.285 4.702 2.331 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -4.565 5.892 1.942 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -3.743 6.314 1.508 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -5.233 3.976 2.949 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -6.039 4.569 3.123 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -4.904 3.575 3.817 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 13