REMARK Name = BDB038388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.752 1.265 -1.371 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -2.492 0.816 -1.233 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 -2.119 0.261 -0.070 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -3.029 0.126 0.979 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -4.354 0.574 0.832 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -4.706 1.173 -0.377 0.00 0.00 +0.075 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.788 -0.187 0.066 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.177 -0.115 -0.940 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.129 0.284 -2.088 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.417 -0.659 -0.367 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.168 -1.036 0.947 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.177 -1.577 1.722 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.442 -1.732 1.142 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.693 -1.353 -0.199 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.657 -0.800 -0.965 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.254 -0.752 1.291 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.075 -1.516 -0.786 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.978 -0.497 -0.247 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.595 0.421 -0.482 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.320 -0.624 -0.842 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 C LIG 1 8.279 0.352 -0.141 0.00 0.00 +0.078 C ATOM 22 C LIG 1 9.728 0.358 -0.699 0.00 0.00 +0.036 C ATOM 23 C LIG 1 9.718 1.891 -0.555 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.180 1.832 -0.614 0.00 0.00 +0.036 C BRANCH 21 25 ATOM 25 O LIG 1 8.175 0.170 1.295 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 7.219 0.003 1.423 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 27 ATOM 27 C LIG 1 -5.329 0.418 1.931 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.570 -0.255 1.785 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -7.459 -0.323 2.873 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.119 0.240 4.094 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -7.972 0.155 5.123 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.908 0.890 4.264 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.022 0.983 3.190 0.00 0.00 +0.012 A BRANCH 28 34 ATOM 34 C LIG 1 -7.013 -0.866 0.531 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -6.428 -1.917 -0.132 0.00 0.00 -0.317 N ATOM 36 C LIG 1 -5.288 -2.703 0.255 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -7.179 -2.134 -1.246 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -8.190 -1.300 -1.263 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 -8.095 -0.513 -0.141 0.00 0.00 -0.129 NA ENDBRANCH 28 34 ENDBRANCH 5 27 BRANCH 1 40 ATOM 40 O LIG 1 -4.147 1.862 -2.549 0.00 0.00 -0.477 OA BRANCH 40 42 ATOM 41 C LIG 1 -2.259 3.129 -3.416 0.00 0.00 +0.048 C ATOM 42 C LIG 1 -3.142 1.901 -3.567 0.00 0.00 +0.227 C ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 10