REMARK Name = BDB039352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.279 0.007 -0.069 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.431 -0.665 -0.539 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.685 -0.137 -0.279 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.033 -0.659 -0.643 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.923 0.392 -0.167 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.241 1.352 0.567 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.697 2.277 1.210 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.812 1.043 0.446 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.725 1.731 0.941 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.455 1.203 0.678 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -1.739 -4.790 -0.398 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -2.687 -3.724 -0.616 0.00 0.00 -0.335 N ATOM 13 C LIG 1 -2.370 -2.390 -0.581 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -3.535 -1.669 -0.822 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.449 -0.263 -0.829 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -2.171 0.279 -0.586 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -1.068 -0.546 -0.342 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -4.574 -2.626 -1.011 0.00 0.00 +0.029 A ATOM 19 N LIG 1 -1.138 -1.899 -0.348 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -4.022 -3.882 -0.878 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 -4.622 0.657 -1.093 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -4.820 1.657 -0.025 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -5.342 1.026 1.212 0.00 0.00 +0.088 C ATOM 24 C LIG 1 -6.831 1.084 1.068 0.00 0.00 +0.008 C ATOM 25 C LIG 1 -7.135 2.105 0.030 0.00 0.00 +0.008 C ATOM 26 C LIG 1 -7.625 2.308 1.440 0.00 0.00 +0.010 C ATOM 27 C LIG 1 -5.829 2.658 -0.444 0.00 0.00 +0.088 C ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 6.369 0.204 -0.134 0.00 0.00 +0.163 C ATOM 29 C LIG 1 6.816 -0.452 1.182 0.00 0.00 +0.240 C ATOM 30 O LIG 1 6.125 -1.250 1.813 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 8.110 -0.195 1.574 0.00 0.00 -0.255 N ATOM 32 H LIG 1 8.413 -0.655 2.421 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 9.072 0.510 0.895 0.00 0.00 +0.219 C ATOM 34 O LIG 1 10.234 0.536 1.291 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 8.648 1.165 -0.398 0.00 0.00 +0.098 C ATOM 36 C LIG 1 7.161 1.485 -0.393 0.00 0.00 +0.041 C ENDBRANCH 5 28 TORSDOF 4