REMARK Name = LIG001397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -0.404 -0.144 -1.808 0.00 0.00 -0.124 S ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.249 0.644 0.175 0.00 0.00 +0.072 A ATOM 3 C LIG 1 -1.444 1.010 -0.915 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -1.512 2.333 -1.380 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.342 3.271 -0.758 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.126 2.899 0.330 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.083 1.587 0.798 0.00 0.00 +0.016 A BRANCH 2 8 ATOM 8 C LIG 1 -2.223 -0.718 0.737 0.00 0.00 +0.340 C ATOM 9 O LIG 1 -1.239 -1.244 1.228 0.00 0.00 -0.245 OA BRANCH 8 11 ATOM 10 C LIG 1 -3.565 -2.584 1.119 0.00 0.00 +0.280 C ATOM 11 O LIG 1 -3.465 -1.249 0.624 0.00 0.00 -0.464 OA ENDBRANCH 8 11 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 12 ATOM 12 C LIG 1 1.249 0.487 -1.343 0.00 0.00 +0.087 C BRANCH 12 13 ATOM 13 C LIG 1 1.703 0.057 0.057 0.00 0.00 +0.086 C ATOM 14 C LIG 1 3.004 0.774 0.356 0.00 0.00 +0.223 C ATOM 15 O LIG 1 3.034 1.936 0.758 0.00 0.00 -0.275 OA ATOM 16 N LIG 1 4.168 0.100 0.084 0.00 0.00 -0.256 N ATOM 17 H LIG 1 5.024 0.604 0.271 0.00 0.00 +0.157 HD ATOM 18 C LIG 1 4.321 -1.206 -0.307 0.00 0.00 +0.219 C ATOM 19 O LIG 1 5.438 -1.686 -0.479 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 3.057 -1.986 -0.568 0.00 0.00 +0.097 C ATOM 21 C LIG 1 1.898 -1.450 0.257 0.00 0.00 +0.023 C ENDBRANCH 12 13 ENDBRANCH 1 12 TORSDOF 5