REMARK Name = LIG001660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.379 1.635 2.006 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.243 0.798 1.462 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.178 0.450 0.106 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.892 -0.302 -0.387 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.928 -0.708 0.464 0.00 0.00 -0.033 A ATOM 6 C LIG 1 1.871 -0.346 1.817 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.802 0.405 2.310 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 3.084 -1.531 -0.064 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 4.395 -0.891 0.125 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 4.509 0.364 -0.654 0.00 0.00 +0.103 C ATOM 11 C LIG 1 5.951 0.924 -0.723 0.00 0.00 +0.120 C ATOM 12 N LIG 1 6.919 -0.075 -1.243 0.00 0.00 -0.325 N ATOM 13 C LIG 1 6.365 -1.427 -1.412 0.00 0.00 +0.120 C ATOM 14 C LIG 1 5.503 -1.824 -0.194 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 8.258 0.148 -0.897 0.00 0.00 +0.066 A ATOM 16 C LIG 1 8.841 1.438 -0.978 0.00 0.00 +0.147 A ATOM 17 F LIG 1 8.116 2.485 -1.404 0.00 0.00 -0.203 F ATOM 18 C LIG 1 10.173 1.688 -0.650 0.00 0.00 +0.078 A ATOM 19 C LIG 1 10.968 0.638 -0.230 0.00 0.00 +0.126 A ATOM 20 F LIG 1 12.249 0.862 0.089 0.00 0.00 -0.205 F ATOM 21 C LIG 1 10.451 -0.644 -0.134 0.00 0.00 +0.040 A ATOM 22 C LIG 1 9.111 -0.884 -0.466 0.00 0.00 +0.029 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 -2.621 1.423 1.327 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 -6.574 0.603 -0.112 0.00 0.00 -0.281 N ATOM 25 C LIG 1 -6.719 -0.587 0.577 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -7.641 -1.376 0.535 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -5.501 -0.770 1.373 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -4.632 0.280 1.085 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -3.392 0.360 1.693 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -3.048 -0.655 2.595 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.938 -1.714 2.876 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.186 -1.780 2.259 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.250 1.183 0.073 0.00 0.00 +0.148 C BRANCH 24 40 ATOM 34 O LIG 1 -10.798 -1.150 -2.250 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -9.838 -0.475 -1.884 0.00 0.00 +0.219 C ATOM 36 N LIG 1 -8.681 -0.459 -2.618 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -8.665 -1.082 -3.413 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -7.504 0.188 -2.342 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -6.500 -0.017 -3.027 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 -7.487 1.116 -1.127 0.00 0.00 +0.163 C ATOM 41 C LIG 1 -8.880 1.491 -0.631 0.00 0.00 +0.041 C ATOM 42 C LIG 1 -9.871 0.341 -0.617 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 7