REMARK Name = BDB017396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.224 0.135 -0.811 0.00 0.00 +0.161 C ATOM 2 C LIG 1 1.813 -0.421 -0.581 0.00 0.00 +0.239 C ATOM 3 O LIG 1 1.536 -1.031 0.454 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.913 -0.190 -1.626 0.00 0.00 -0.255 N ATOM 5 C LIG 1 1.205 -0.847 -2.903 0.00 0.00 +0.241 C ATOM 6 C LIG 1 0.380 -2.114 -2.831 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.606 -1.954 -1.827 0.00 0.00 -0.011 A ATOM 8 C LIG 1 -1.461 -2.999 -1.524 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.344 -4.187 -2.255 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -0.388 -4.322 -3.275 0.00 0.00 +0.000 A ATOM 11 C LIG 1 0.486 -3.278 -3.573 0.00 0.00 +0.008 A ATOM 12 O LIG 1 2.572 -0.969 -3.255 0.00 0.00 -0.354 OA ATOM 13 C LIG 1 3.383 -1.796 -2.435 0.00 0.00 +0.165 C ATOM 14 C LIG 1 -0.493 -0.528 -1.321 0.00 0.00 +0.195 C ATOM 15 C LIG 1 4.116 -0.946 -1.411 0.00 0.00 +0.060 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.787 1.454 0.602 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.730 0.585 0.481 0.00 0.00 -0.303 N ATOM 18 H LIG 1 3.254 0.222 1.302 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 5.416 1.853 -0.378 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 5.174 1.821 2.060 0.00 0.00 +0.137 C ATOM 21 C LIG 1 3.981 2.291 2.893 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 5.930 4.151 1.754 0.00 0.00 +0.101 C ATOM 23 N LIG 1 6.310 2.778 2.072 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 6.958 2.466 1.342 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -1.117 -0.066 0.015 0.00 0.00 +0.239 C ATOM 26 N LIG 1 -2.399 -0.527 0.257 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -2.924 -0.872 -0.535 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -0.584 0.769 0.747 0.00 0.00 -0.273 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.195 -0.049 1.382 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -4.234 0.932 0.869 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -5.586 0.567 0.718 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -6.500 1.504 0.212 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.081 2.782 -0.157 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.745 3.143 -0.015 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.099 -0.783 1.157 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -4.997 -1.824 1.333 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.828 2.225 0.494 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -3.826 -1.240 2.117 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5