REMARK Name = LIG001707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.090 -2.658 0.513 0.00 0.00 +0.056 C ATOM 2 C LIG 1 -0.779 -1.520 0.686 0.00 0.00 +0.071 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.260 -1.546 0.571 0.00 0.00 +0.240 C ATOM 4 N LIG 1 -2.907 -0.340 0.343 0.00 0.00 -0.296 N ATOM 5 C LIG 1 -2.265 0.981 0.327 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -3.059 2.027 -0.479 0.00 0.00 +0.100 C ATOM 7 N LIG 1 -4.476 2.093 -0.099 0.00 0.00 -0.313 NA ATOM 8 H LIG 1 -4.960 2.749 -0.712 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 -5.080 0.760 -0.253 0.00 0.00 +0.100 C ATOM 10 C LIG 1 -4.357 -0.317 0.571 0.00 0.00 +0.123 C ATOM 11 O LIG 1 -2.859 -2.616 0.672 0.00 0.00 -0.271 OA ENDBRANCH 2 3 BRANCH 1 12 ATOM 12 C LIG 1 1.383 -2.758 0.665 0.00 0.00 +0.186 C ATOM 13 O LIG 1 1.885 -3.804 1.062 0.00 0.00 -0.287 OA BRANCH 12 17 ATOM 14 C LIG 1 3.959 0.554 -0.213 0.00 0.00 +0.120 A ATOM 15 C LIG 1 4.208 -0.272 0.884 0.00 0.00 +0.046 A ATOM 16 C LIG 1 3.359 -1.351 1.157 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.250 -1.600 0.341 0.00 0.00 +0.022 A ATOM 18 C LIG 1 2.013 -0.790 -0.773 0.00 0.00 +0.015 A ATOM 19 C LIG 1 2.863 0.287 -1.039 0.00 0.00 +0.046 A BRANCH 14 21 ATOM 20 C LIG 1 5.862 1.923 0.185 0.00 0.00 +0.277 C ATOM 21 O LIG 1 4.703 1.638 -0.589 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 12 17 ENDBRANCH 1 12 TORSDOF 4