REMARK Name = LIG000788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.413 -1.085 -0.996 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -0.795 -1.775 -1.192 0.00 0.00 +0.008 A ATOM 3 C LIG 1 -1.900 -1.516 -0.378 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -1.811 -0.547 0.625 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.614 0.139 0.838 0.00 0.00 +0.013 A ATOM 6 C LIG 1 0.488 -0.119 0.019 0.00 0.00 +0.008 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.963 -0.262 1.509 0.00 0.00 +0.247 C ATOM 8 N LIG 1 -4.169 0.122 0.933 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -5.315 0.350 1.813 0.00 0.00 +0.127 C ATOM 10 C LIG 1 -6.667 0.218 1.089 0.00 0.00 +0.124 C ATOM 11 N LIG 1 -6.740 1.059 -0.125 0.00 0.00 -0.325 N ATOM 12 C LIG 1 -5.467 1.585 -0.647 0.00 0.00 +0.124 C ATOM 13 C LIG 1 -4.325 0.567 -0.458 0.00 0.00 +0.127 C ATOM 14 O LIG 1 -2.800 -0.377 2.721 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -7.958 1.615 -0.511 0.00 0.00 +0.066 A ATOM 16 C LIG 1 -8.078 2.849 -1.189 0.00 0.00 +0.147 A ATOM 17 F LIG 1 -6.991 3.589 -1.466 0.00 0.00 -0.203 F ATOM 18 C LIG 1 -9.309 3.377 -1.578 0.00 0.00 +0.078 A ATOM 19 C LIG 1 -10.464 2.671 -1.299 0.00 0.00 +0.126 A ATOM 20 F LIG 1 -11.652 3.167 -1.669 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -10.406 1.451 -0.642 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -9.164 0.931 -0.257 0.00 0.00 +0.029 A ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 1.587 -1.361 -1.912 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 O LIG 1 2.856 -1.073 -1.317 0.00 0.00 -0.487 OA BRANCH 24 30 ATOM 25 N LIG 1 6.893 -0.958 0.116 0.00 0.00 -0.281 N ATOM 26 C LIG 1 6.850 -2.200 0.729 0.00 0.00 +0.248 C ATOM 27 O LIG 1 7.740 -2.769 1.329 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 5.496 -2.725 0.530 0.00 0.00 +0.045 A ATOM 29 C LIG 1 4.780 -1.804 -0.233 0.00 0.00 +0.024 A ATOM 30 C LIG 1 3.460 -2.043 -0.575 0.00 0.00 +0.126 A ATOM 31 C LIG 1 2.875 -3.227 -0.110 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.612 -4.150 0.662 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.945 -3.904 0.989 0.00 0.00 +0.013 A ATOM 34 C LIG 1 5.649 -0.642 -0.579 0.00 0.00 +0.148 C BRANCH 25 41 ATOM 35 O LIG 1 6.969 3.690 1.111 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 7.429 2.583 0.844 0.00 0.00 +0.219 C ATOM 37 N LIG 1 7.801 2.269 -0.438 0.00 0.00 -0.255 N ATOM 38 H LIG 1 7.658 3.001 -1.120 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 8.010 1.012 -0.956 0.00 0.00 +0.240 C ATOM 40 O LIG 1 7.982 0.836 -2.173 0.00 0.00 -0.273 OA ATOM 41 C LIG 1 8.106 -0.142 0.051 0.00 0.00 +0.163 C ATOM 42 C LIG 1 8.511 0.406 1.424 0.00 0.00 +0.041 C ATOM 43 C LIG 1 7.539 1.486 1.873 0.00 0.00 +0.098 C ENDBRANCH 25 41 ENDBRANCH 24 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 6