REMARK Name = LIG000584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.030 0.579 -0.698 0.00 0.00 -0.333 N ATOM 2 H LIG 1 0.069 0.778 -1.699 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.296 -0.115 -0.425 0.00 0.00 +0.158 C ATOM 4 C LIG 1 -2.197 -0.030 -1.672 0.00 0.00 +0.239 C ATOM 5 O LIG 1 -1.752 0.127 -2.809 0.00 0.00 -0.273 OA ATOM 6 N LIG 1 -3.549 -0.162 -1.460 0.00 0.00 -0.255 N ATOM 7 H LIG 1 -4.132 -0.102 -2.284 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 -4.208 -0.102 -0.259 0.00 0.00 +0.219 C ATOM 9 O LIG 1 -5.434 -0.079 -0.212 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.351 -0.120 0.983 0.00 0.00 +0.098 C ATOM 11 C LIG 1 -2.015 0.563 0.739 0.00 0.00 +0.041 C ENDBRANCH 1 3 BRANCH 1 14 ATOM 12 C LIG 1 3.632 0.193 -0.237 0.00 0.00 +0.026 A ATOM 13 C LIG 1 2.378 0.578 -0.728 0.00 0.00 +0.045 A ATOM 14 C LIG 1 1.177 0.116 -0.160 0.00 0.00 +0.029 A ATOM 15 C LIG 1 1.268 -0.662 0.997 0.00 0.00 +0.023 A ATOM 16 C LIG 1 2.510 -1.006 1.537 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.685 -0.568 0.929 0.00 0.00 +0.023 A BRANCH 12 18 ATOM 18 N LIG 1 4.802 0.748 -0.770 0.00 0.00 -0.358 N ATOM 19 H LIG 1 5.636 0.199 -0.588 0.00 0.00 +0.142 HD ATOM 20 H LIG 1 4.720 1.013 -1.747 0.00 0.00 +0.142 HD ENDBRANCH 12 18 ENDBRANCH 1 14 TORSDOF 3