REMARK Name = LIG001797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.939 -0.480 0.422 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.993 -0.483 -0.473 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -2.206 -1.368 -0.918 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.783 0.402 1.265 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -3.104 0.443 -0.297 0.00 0.00 +0.160 C ATOM 6 C LIG 1 -4.253 -0.266 0.434 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -4.144 -1.366 0.974 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -5.454 0.401 0.424 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -6.209 -0.086 0.891 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -5.870 1.239 -0.579 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -7.063 1.447 -0.775 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -4.787 1.893 -1.407 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -3.620 0.944 -1.639 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 15 ATOM 14 C LIG 1 -0.621 -2.894 1.014 0.00 0.00 +0.038 C ATOM 15 C LIG 1 -0.001 -1.698 0.306 0.00 0.00 +0.159 C BRANCH 15 16 ATOM 16 N LIG 1 1.280 -1.359 0.901 0.00 0.00 -0.270 N ATOM 17 H LIG 1 1.278 -1.040 1.862 0.00 0.00 +0.153 HD ATOM 18 C LIG 1 2.257 -0.772 0.154 0.00 0.00 +0.401 C ATOM 19 O LIG 1 2.270 -0.727 -1.065 0.00 0.00 -0.226 OA BRANCH 18 20 ATOM 20 O LIG 1 3.181 -0.245 0.987 0.00 0.00 -0.445 OA BRANCH 20 21 ATOM 21 C LIG 1 4.330 0.468 0.464 0.00 0.00 +0.107 C ATOM 22 C LIG 1 5.120 0.903 1.708 0.00 0.00 +0.055 C ATOM 23 C LIG 1 3.904 1.722 -0.308 0.00 0.00 +0.055 C ATOM 24 C LIG 1 5.218 -0.451 -0.382 0.00 0.00 +0.055 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 5