REMARK Name = LIG000583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.319 -0.912 0.038 0.00 0.00 -0.333 N ATOM 2 H LIG 1 -0.415 -1.931 0.024 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.138 -0.270 -1.002 0.00 0.00 +0.158 C ATOM 4 C LIG 1 -2.271 -1.233 -1.401 0.00 0.00 +0.239 C ATOM 5 O LIG 1 -2.076 -2.217 -2.115 0.00 0.00 -0.273 OA ATOM 6 N LIG 1 -3.505 -1.022 -0.837 0.00 0.00 -0.255 N ATOM 7 H LIG 1 -4.213 -1.708 -1.060 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 -3.809 -0.177 0.199 0.00 0.00 +0.219 C ATOM 9 O LIG 1 -4.892 -0.253 0.773 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.735 0.791 0.625 0.00 0.00 +0.098 C ATOM 11 C LIG 1 -1.742 1.044 -0.501 0.00 0.00 +0.041 C ENDBRANCH 1 3 BRANCH 1 14 ATOM 12 C LIG 1 3.002 0.845 -0.083 0.00 0.00 +0.026 A ATOM 13 C LIG 1 1.654 0.548 -0.334 0.00 0.00 +0.045 A ATOM 14 C LIG 1 1.029 -0.578 0.219 0.00 0.00 +0.029 A ATOM 15 C LIG 1 1.774 -1.353 1.120 0.00 0.00 +0.023 A ATOM 16 C LIG 1 3.097 -1.036 1.431 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.701 0.071 0.842 0.00 0.00 +0.023 A BRANCH 12 18 ATOM 18 N LIG 1 3.568 2.029 -0.578 0.00 0.00 -0.358 N ATOM 19 H LIG 1 3.162 2.343 -1.453 0.00 0.00 +0.142 HD ATOM 20 H LIG 1 4.582 2.013 -0.610 0.00 0.00 +0.142 HD ENDBRANCH 12 18 ENDBRANCH 1 14 TORSDOF 3