REMARK Name = LIG001712 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.433 -1.934 1.380 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.215 -1.237 0.816 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.918 -1.981 0.459 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.059 -1.345 -0.039 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.095 0.049 -0.175 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -0.967 0.793 0.196 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.173 0.158 0.693 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.327 0.740 -0.723 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -3.887 1.750 0.190 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -4.964 2.522 -0.470 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -6.293 1.759 -0.700 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -6.774 1.142 0.558 0.00 0.00 -0.325 N ATOM 13 C LIG 1 -5.741 0.336 1.243 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.443 1.158 1.431 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -8.079 0.618 0.487 0.00 0.00 +0.066 A ATOM 16 C LIG 1 -8.427 -0.726 0.743 0.00 0.00 +0.147 A ATOM 17 F LIG 1 -7.488 -1.638 1.044 0.00 0.00 -0.203 F ATOM 18 C LIG 1 -9.743 -1.182 0.673 0.00 0.00 +0.078 A ATOM 19 C LIG 1 -10.751 -0.289 0.352 0.00 0.00 +0.126 A ATOM 20 F LIG 1 -12.018 -0.718 0.284 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -10.466 1.045 0.107 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -9.142 1.491 0.179 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 2.660 -1.298 1.017 0.00 0.00 -0.487 OA BRANCH 23 32 ATOM 24 N LIG 1 6.578 -0.141 -0.266 0.00 0.00 -0.222 N ATOM 25 C LIG 1 5.436 -0.358 0.463 0.00 0.00 +0.258 C ATOM 26 O LIG 1 5.205 0.018 1.597 0.00 0.00 -0.269 OA ATOM 27 C LIG 1 4.530 -1.139 -0.389 0.00 0.00 +0.091 A ATOM 28 C LIG 1 5.206 -1.386 -1.573 0.00 0.00 +0.053 A ATOM 29 C LIG 1 4.649 -2.112 -2.607 0.00 0.00 +0.014 A ATOM 30 C LIG 1 3.353 -2.589 -2.418 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.657 -2.337 -1.214 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.245 -1.608 -0.172 0.00 0.00 +0.134 A ATOM 33 C LIG 1 6.525 -0.769 -1.478 0.00 0.00 +0.255 C ATOM 34 O LIG 1 7.380 -0.852 -2.339 0.00 0.00 -0.270 OA BRANCH 24 41 ATOM 35 O LIG 1 11.810 1.216 0.697 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 10.607 1.011 0.568 0.00 0.00 +0.219 C ATOM 37 N LIG 1 10.055 -0.200 0.906 0.00 0.00 -0.255 N ATOM 38 H LIG 1 10.706 -0.915 1.198 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 8.752 -0.612 0.730 0.00 0.00 +0.240 C ATOM 40 O LIG 1 8.431 -1.775 0.966 0.00 0.00 -0.273 OA ATOM 41 C LIG 1 7.765 0.479 0.301 0.00 0.00 +0.171 C ATOM 42 C LIG 1 8.456 1.476 -0.626 0.00 0.00 +0.041 C ATOM 43 C LIG 1 9.652 2.082 0.093 0.00 0.00 +0.098 C ENDBRANCH 24 41 ENDBRANCH 23 32 ENDBRANCH 1 23 TORSDOF 7