REMARK Name = LIG000732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.635 -0.016 -0.188 0.00 0.00 -0.300 N ATOM 2 H LIG 1 -0.383 -0.606 -0.977 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 0.326 0.798 0.368 0.00 0.00 +0.245 C ATOM 4 O LIG 1 0.054 1.771 1.062 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 O LIG 1 -5.991 -0.814 0.402 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -4.840 -0.412 0.254 0.00 0.00 +0.219 C ATOM 7 N LIG 1 -4.177 -0.597 -0.932 0.00 0.00 -0.255 N ATOM 8 H LIG 1 -4.674 -1.155 -1.613 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 -2.820 -0.510 -1.117 0.00 0.00 +0.240 C ATOM 10 O LIG 1 -2.268 -1.054 -2.073 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 -2.051 0.312 -0.077 0.00 0.00 +0.160 C ATOM 12 C LIG 1 -2.609 0.006 1.308 0.00 0.00 +0.041 C ATOM 13 C LIG 1 -4.095 0.330 1.338 0.00 0.00 +0.098 C ENDBRANCH 1 11 BRANCH 3 14 ATOM 14 C LIG 1 1.746 0.468 0.058 0.00 0.00 +0.037 A ATOM 15 C LIG 1 2.702 1.490 0.163 0.00 0.00 +0.015 A ATOM 16 C LIG 1 4.049 1.233 -0.111 0.00 0.00 +0.033 A ATOM 17 C LIG 1 4.442 -0.058 -0.483 0.00 0.00 +0.126 A ATOM 18 C LIG 1 3.498 -1.090 -0.578 0.00 0.00 +0.033 A ATOM 19 C LIG 1 2.151 -0.826 -0.303 0.00 0.00 +0.015 A BRANCH 17 20 ATOM 20 N LIG 1 5.856 -0.336 -0.771 0.00 0.00 +0.056 N ATOM 21 O LIG 1 6.162 -1.495 -1.084 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 6.657 0.605 -0.684 0.00 0.00 -0.126 OA ENDBRANCH 17 20 ENDBRANCH 3 14 TORSDOF 3