REMARK Name = BDB035587 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.116 1.630 0.356 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.466 0.384 0.618 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.004 -0.741 0.567 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.853 0.639 1.028 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.834 -0.271 1.376 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.101 0.220 1.728 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.321 1.619 1.742 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.310 2.535 1.385 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.072 2.011 1.026 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.822 2.716 0.609 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.647 1.002 -0.834 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.310 0.814 -0.416 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.446 1.869 -0.088 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.939 3.174 -0.210 0.00 0.00 +0.027 A ATOM 15 C LIG 1 -3.252 3.419 -0.631 0.00 0.00 -0.048 A ATOM 16 C LIG 1 -3.782 4.821 -0.704 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -4.090 2.336 -0.917 0.00 0.00 +0.008 A BRANCH 11 20 ATOM 18 C LIG 1 -5.103 -1.654 -2.764 0.00 0.00 +0.120 C ATOM 19 C LIG 1 -3.992 -1.555 -1.705 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -4.628 -0.226 -1.177 0.00 0.00 +0.060 C ATOM 21 C LIG 1 -5.364 -0.151 -2.561 0.00 0.00 +0.051 C BRANCH 20 22 ATOM 22 C LIG 1 -5.642 -0.418 0.031 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.439 -1.067 1.219 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.269 -1.761 1.677 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.588 -0.907 1.935 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.441 -0.188 1.246 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.843 0.130 0.051 0.00 0.00 -0.134 NA ENDBRANCH 20 22 BRANCH 18 29 ATOM 28 C LIG 1 -6.002 -3.911 -2.729 0.00 0.00 +0.194 C ATOM 29 O LIG 1 -6.205 -2.534 -2.454 0.00 0.00 -0.380 OA ENDBRANCH 18 29 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.550 4.020 1.389 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.356 4.577 0.162 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.807 4.373 1.770 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.703 4.675 2.230 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.211 -0.726 2.139 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.337 -1.888 1.255 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.509 -2.711 1.832 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.325 -1.703 0.170 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.468 -3.077 -0.550 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.634 -3.422 0.397 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.764 -1.920 0.715 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.070 -0.535 -0.760 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8