REMARK Name = LIG001369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.374 0.612 0.636 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -2.065 0.277 0.318 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -0.799 0.898 0.715 0.00 0.00 +0.256 C ATOM 4 N LIG 1 0.200 0.201 0.088 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -0.300 -0.840 -0.642 0.00 0.00 +0.255 C ATOM 6 O LIG 1 0.294 -1.690 -1.277 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 -0.703 1.873 1.437 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -1.754 -0.780 -0.522 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -2.721 -1.588 -1.081 0.00 0.00 +0.052 A ATOM 10 C LIG 1 -4.038 -1.292 -0.748 0.00 0.00 +0.126 A ATOM 11 F LIG 1 -5.023 -2.053 -1.242 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.366 -0.224 0.108 0.00 0.00 +0.061 A ENDROOT BRANCH 4 13 ATOM 13 C LIG 1 1.611 0.440 0.348 0.00 0.00 +0.171 C ATOM 14 C LIG 1 2.123 -0.601 1.349 0.00 0.00 +0.240 C ATOM 15 O LIG 1 1.397 -1.214 2.129 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 3.489 -0.775 1.382 0.00 0.00 -0.255 N ATOM 17 H LIG 1 3.831 -1.452 2.051 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 4.425 -0.254 0.524 0.00 0.00 +0.219 C ATOM 19 O LIG 1 5.613 -0.547 0.630 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 3.927 0.737 -0.502 0.00 0.00 +0.098 C ATOM 21 C LIG 1 2.488 0.443 -0.902 0.00 0.00 +0.041 C ENDBRANCH 4 13 BRANCH 1 22 ATOM 22 N LIG 1 -3.693 1.571 1.595 0.00 0.00 -0.357 N ATOM 23 H LIG 1 -4.609 2.000 1.514 0.00 0.00 +0.142 HD ATOM 24 H LIG 1 -2.948 2.246 1.784 0.00 0.00 +0.142 HD ENDBRANCH 1 22 TORSDOF 2