REMARK Name = LIG001104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.363 0.359 2.068 0.00 0.00 +0.154 C ATOM 2 N LIG 1 1.166 0.213 1.292 0.00 0.00 -0.294 N ATOM 3 C LIG 1 1.077 -0.283 -0.024 0.00 0.00 +0.085 A ATOM 4 C LIG 1 -0.281 -0.271 -0.380 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -0.718 -0.710 -1.615 0.00 0.00 +0.028 A ATOM 6 C LIG 1 0.244 -1.165 -2.518 0.00 0.00 +0.003 A ATOM 7 C LIG 1 1.607 -1.175 -2.173 0.00 0.00 +0.019 A ATOM 8 N LIG 1 -1.014 0.233 0.709 0.00 0.00 -0.280 N ATOM 9 C LIG 1 2.043 -0.732 -0.914 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -0.123 0.529 1.758 0.00 0.00 +0.331 A ATOM 11 O LIG 1 -0.420 0.988 2.851 0.00 0.00 -0.246 OA ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.445 0.420 0.808 0.00 0.00 +0.179 C ATOM 13 C LIG 1 -3.253 -0.864 0.573 0.00 0.00 +0.242 C ATOM 14 O LIG 1 -2.808 -2.001 0.706 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -4.577 -0.681 0.241 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -5.110 -1.527 0.088 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -5.213 0.491 -0.082 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -6.370 0.492 -0.491 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -4.433 1.765 0.138 0.00 0.00 +0.099 C ATOM 20 C LIG 1 -2.946 1.549 -0.093 0.00 0.00 +0.044 C ENDBRANCH 8 12 BRANCH 9 21 ATOM 21 C LIG 1 3.443 -0.769 -0.624 0.00 0.00 -0.062 C ATOM 22 C LIG 1 4.624 -0.812 -0.409 0.00 0.00 -0.069 C BRANCH 22 23 ATOM 23 C LIG 1 6.063 -0.865 -0.155 0.00 0.00 +0.244 C BRANCH 23 24 ATOM 24 O LIG 1 6.759 -0.131 -1.152 0.00 0.00 -0.383 OA ATOM 25 H LIG 1 6.343 0.746 -1.196 0.00 0.00 +0.211 HD ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 21 TORSDOF 4