REMARK Name = BDB035691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.690 0.110 0.715 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.430 0.610 1.389 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.562 1.027 2.525 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.552 0.572 0.442 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.865 0.955 0.641 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.758 0.829 -0.432 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.300 0.303 -1.664 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.958 -0.085 -1.850 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.094 0.064 -0.768 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.362 -0.255 -0.657 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.361 -0.701 0.941 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.045 -0.539 0.449 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.999 -0.046 1.249 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.301 0.281 2.574 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.594 0.127 3.083 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.618 -0.358 2.273 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.442 -1.210 -0.018 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -6.040 1.934 0.186 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.011 1.118 -0.997 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.758 -0.227 -1.120 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -5.811 -0.537 -2.405 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -6.104 0.598 -3.118 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.221 1.582 -2.261 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.614 -1.855 0.709 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -7.968 -1.207 0.898 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -7.817 -2.355 -0.061 0.00 0.00 +0.005 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 1.468 -0.638 -3.161 0.00 0.00 +0.418 C ATOM 28 F LIG 1 0.917 -1.875 -3.024 0.00 0.00 -0.166 F ATOM 29 F LIG 1 2.443 -0.762 -4.102 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.502 0.142 -3.718 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 5.212 1.214 -0.257 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 5.941 0.144 0.422 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 5.695 -0.747 -0.009 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 7.393 0.404 0.502 0.00 0.00 +0.017 C ATOM 35 C LIG 1 8.050 -0.873 1.106 0.00 0.00 +0.022 C ATOM 36 C LIG 1 8.264 -1.405 -0.324 0.00 0.00 +0.004 C ATOM 37 C LIG 1 8.081 0.035 -0.841 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.778 1.698 1.190 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8