REMARK Name = LIG001280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.453 1.368 -3.939 0.00 0.00 +0.044 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.283 1.349 -2.675 0.00 0.00 -0.046 A ATOM 3 C LIG 1 3.020 0.206 -2.333 0.00 0.00 +0.017 A ATOM 4 C LIG 1 3.742 0.237 -1.154 0.00 0.00 +0.042 A ATOM 5 C LIG 1 4.584 -0.806 -0.560 0.00 0.00 +0.248 C ATOM 6 N LIG 1 5.025 -0.320 0.662 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.654 1.076 0.856 0.00 0.00 +0.144 C ATOM 8 O LIG 1 4.830 -1.876 -1.083 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.768 1.346 -0.312 0.00 0.00 -0.018 A ATOM 10 C LIG 1 3.048 2.481 -0.634 0.00 0.00 +0.006 A ATOM 11 C LIG 1 2.301 2.474 -1.819 0.00 0.00 +0.004 A BRANCH 6 12 ATOM 12 C LIG 1 6.061 -0.948 1.474 0.00 0.00 +0.163 C ATOM 13 C LIG 1 7.454 -0.738 0.860 0.00 0.00 +0.240 C ATOM 14 O LIG 1 7.765 0.256 0.204 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.405 -1.679 1.185 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.329 -1.520 0.807 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.278 -2.747 2.037 0.00 0.00 +0.219 C ATOM 18 O LIG 1 9.250 -3.433 2.340 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.914 -2.970 2.647 0.00 0.00 +0.098 C ATOM 20 C LIG 1 5.813 -2.432 1.746 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 0.093 0.698 -3.751 0.00 0.00 +0.101 C BRANCH 21 24 ATOM 22 N LIG 1 -1.910 0.804 -2.417 0.00 0.00 -0.285 N ATOM 23 H LIG 1 -1.875 -0.195 -2.577 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -0.896 1.562 -2.982 0.00 0.00 +0.218 C ATOM 25 O LIG 1 -0.796 2.783 -2.939 0.00 0.00 -0.275 OA BRANCH 22 32 ATOM 26 C LIG 1 -5.018 0.630 -0.378 0.00 0.00 +0.036 A ATOM 27 C LIG 1 -5.248 1.984 -0.058 0.00 0.00 -0.011 A ATOM 28 C LIG 1 -6.428 2.437 0.762 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -4.304 2.941 -0.496 0.00 0.00 +0.047 A ATOM 30 CL LIG 1 -4.448 4.620 -0.081 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 -3.197 2.586 -1.278 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -2.991 1.261 -1.634 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -3.900 0.302 -1.178 0.00 0.00 +0.046 A BRANCH 26 34 ATOM 34 N LIG 1 -5.801 -0.464 0.025 0.00 0.00 -0.330 N ATOM 35 C LIG 1 -6.982 -0.663 -0.816 0.00 0.00 +0.129 C BRANCH 34 36 ATOM 36 C LIG 1 -5.994 -0.689 1.469 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 -4.669 -0.830 2.235 0.00 0.00 +0.178 C BRANCH 37 39 ATOM 38 C LIG 1 -4.997 -2.592 3.797 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -4.889 -1.187 3.605 0.00 0.00 -0.381 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 22 32 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 9