REMARK Name = LIG001656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.000 1.686 2.583 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.612 1.085 2.578 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.480 1.848 3.013 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.765 1.302 3.035 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.986 -0.022 2.629 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -0.891 -0.792 2.216 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.394 -0.246 2.195 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.380 -0.614 2.659 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -4.357 0.158 1.873 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -5.738 -0.327 2.117 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -6.078 -1.704 1.494 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -5.777 -1.722 0.043 0.00 0.00 -0.327 N ATOM 13 C LIG 1 -4.408 -1.258 -0.263 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.092 0.098 0.414 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -6.840 -1.420 -0.813 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -8.040 -2.151 -0.716 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -9.130 -1.899 -1.556 0.00 0.00 +0.040 A ATOM 18 C LIG 1 -9.030 -0.911 -2.520 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -10.069 -0.664 -3.329 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -7.861 -0.181 -2.662 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -6.774 -0.441 -1.817 0.00 0.00 +0.026 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 O LIG 1 2.850 1.154 1.561 0.00 0.00 -0.487 OA BRANCH 22 28 ATOM 23 N LIG 1 5.617 0.407 -1.630 0.00 0.00 -0.281 N ATOM 24 C LIG 1 5.039 1.303 -2.516 0.00 0.00 +0.248 C ATOM 25 O LIG 1 5.405 1.587 -3.640 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 3.866 1.869 -1.842 0.00 0.00 +0.045 A ATOM 27 C LIG 1 3.816 1.352 -0.548 0.00 0.00 +0.024 A ATOM 28 C LIG 1 2.807 1.724 0.323 0.00 0.00 +0.126 A ATOM 29 C LIG 1 1.839 2.618 -0.152 0.00 0.00 +0.046 A ATOM 30 C LIG 1 1.904 3.135 -1.463 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.933 2.763 -2.326 0.00 0.00 +0.013 A ATOM 32 C LIG 1 4.969 0.434 -0.323 0.00 0.00 +0.148 C BRANCH 23 39 ATOM 33 O LIG 1 10.562 -1.787 -0.746 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 9.509 -1.308 -1.159 0.00 0.00 +0.219 C ATOM 35 N LIG 1 9.281 0.043 -1.115 0.00 0.00 -0.255 N ATOM 36 H LIG 1 10.000 0.579 -0.647 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 8.049 0.656 -1.169 0.00 0.00 +0.240 C ATOM 38 O LIG 1 7.893 1.774 -0.684 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 6.941 -0.159 -1.858 0.00 0.00 +0.163 C ATOM 40 C LIG 1 7.039 -1.613 -1.405 0.00 0.00 +0.041 C ATOM 41 C LIG 1 8.414 -2.160 -1.757 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 28 ENDBRANCH 1 22 TORSDOF 7