REMARK Name = LIG001736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.887 -0.363 -3.625 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -1.855 0.518 -2.539 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -0.834 0.436 -1.565 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.185 -0.524 -1.704 0.00 0.00 +0.042 A ATOM 5 C LIG 1 0.159 -1.379 -2.818 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -0.855 -1.294 -3.776 0.00 0.00 +0.030 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 -6.027 0.499 -1.251 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -5.046 0.138 -2.192 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -5.144 0.542 -3.526 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -6.306 1.233 -3.945 0.00 0.00 +0.051 A ATOM 11 N LIG 1 -6.530 1.501 -5.317 0.00 0.00 -0.320 N ATOM 12 H LIG 1 -7.385 1.958 -5.613 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 -5.716 1.060 -6.350 0.00 0.00 +0.279 A ATOM 14 C LIG 1 -4.503 0.391 -5.918 0.00 0.00 +0.178 A ATOM 15 N LIG 1 -3.543 -0.169 -6.702 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -2.611 -0.663 -5.896 0.00 0.00 -0.059 NA ATOM 17 N LIG 1 -2.901 -0.287 -4.616 0.00 0.00 -0.211 N ATOM 18 O LIG 1 -6.023 1.251 -7.522 0.00 0.00 -0.265 OA ATOM 19 C LIG 1 -7.281 1.608 -3.023 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -4.191 0.217 -4.581 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -7.133 1.249 -1.682 0.00 0.00 +0.010 A BRANCH 7 25 ATOM 22 C LIG 1 -5.624 -0.652 2.788 0.00 0.00 +0.214 A ATOM 23 N LIG 1 -4.713 0.196 2.269 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 -4.880 0.543 0.971 0.00 0.00 +0.123 A ATOM 25 C LIG 1 -5.910 0.084 0.149 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.829 -0.797 0.732 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.686 -1.172 2.067 0.00 0.00 +0.068 A BRANCH 22 29 ATOM 28 C LIG 1 -4.479 -0.390 4.812 0.00 0.00 +0.279 C ATOM 29 O LIG 1 -5.528 -1.048 4.107 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 7 25 ENDBRANCH 1 17 BRANCH 4 30 ATOM 30 N LIG 1 1.187 -0.626 -0.731 0.00 0.00 -0.326 N ATOM 31 C LIG 1 2.572 -0.487 -1.224 0.00 0.00 +0.124 C ATOM 32 C LIG 1 3.573 -0.631 -0.062 0.00 0.00 +0.127 C ATOM 33 N LIG 1 3.416 -1.892 0.682 0.00 0.00 -0.295 N ATOM 34 C LIG 1 4.331 -2.428 1.568 0.00 0.00 +0.240 C ATOM 35 O LIG 1 4.177 -3.525 2.099 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 2.180 -2.639 0.419 0.00 0.00 +0.127 C ATOM 37 C LIG 1 0.957 -1.720 0.250 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 5.536 -1.612 1.877 0.00 0.00 +0.071 C ATOM 39 C LIG 1 6.544 -2.178 2.561 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 7.819 -1.506 2.910 0.00 0.00 +0.186 C ATOM 41 O LIG 1 8.809 -2.173 3.184 0.00 0.00 -0.287 OA BRANCH 40 42 ATOM 42 C LIG 1 7.926 -0.030 2.904 0.00 0.00 +0.022 A ATOM 43 C LIG 1 7.009 0.775 3.592 0.00 0.00 +0.014 A ATOM 44 C LIG 1 7.162 2.165 3.581 0.00 0.00 +0.033 A ATOM 45 C LIG 1 8.239 2.740 2.887 0.00 0.00 +0.126 A ATOM 46 C LIG 1 9.170 1.934 2.216 0.00 0.00 +0.033 A ATOM 47 C LIG 1 9.014 0.547 2.233 0.00 0.00 +0.014 A BRANCH 45 48 ATOM 48 N LIG 1 8.396 4.201 2.869 0.00 0.00 +0.056 N ATOM 49 O LIG 1 7.570 4.876 3.499 0.00 0.00 -0.126 OA ATOM 50 O LIG 1 9.340 4.670 2.218 0.00 0.00 -0.126 OA ENDBRANCH 45 48 ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 4 30 BRANCH 3 51 ATOM 51 C LIG 1 -0.832 1.404 -0.404 0.00 0.00 +0.419 C ATOM 52 F LIG 1 -0.856 0.796 0.815 0.00 0.00 -0.166 F ATOM 53 F LIG 1 -1.932 2.221 -0.408 0.00 0.00 -0.166 F ATOM 54 F LIG 1 0.237 2.250 -0.400 0.00 0.00 -0.166 F ENDBRANCH 3 51 TORSDOF 9