REMARK Name = LIG001840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.622 -1.791 1.577 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -0.690 -1.407 1.433 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -1.218 -0.165 0.904 0.00 0.00 +0.139 C ATOM 4 C LIG 1 -2.700 -0.292 0.526 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -3.460 -0.935 1.615 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -2.991 -2.329 1.799 0.00 0.00 +0.159 C ATOM 7 C LIG 1 -1.498 -2.429 1.869 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -0.777 -3.458 2.263 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 0.528 -3.073 2.090 0.00 0.00 +0.139 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.741 0.201 -0.891 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.253 1.090 0.056 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.734 2.143 0.425 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.008 0.514 0.575 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.832 -0.737 -0.010 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.727 -1.508 0.310 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.791 -0.997 1.226 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.000 0.270 1.816 0.00 0.00 +0.011 A ATOM 18 C LIG 1 3.119 1.042 1.491 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.973 -1.037 -0.921 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 11.022 1.438 -1.862 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.834 1.163 -1.720 0.00 0.00 +0.219 C ATOM 22 N LIG 1 9.412 0.363 -0.689 0.00 0.00 -0.255 N ATOM 23 H LIG 1 10.129 0.050 -0.049 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 8.154 -0.154 -0.480 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.966 -0.993 0.400 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 7.073 0.280 -1.483 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.405 1.651 -2.071 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.783 1.603 -2.712 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.909 -0.939 1.343 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -5.535 0.443 1.435 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.244 1.033 0.363 0.00 0.00 -0.013 A ATOM 32 C LIG 1 -6.795 2.316 0.540 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -6.660 3.004 1.746 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.968 2.420 2.801 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.413 1.151 2.647 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -6.427 0.363 -0.931 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -5.571 0.640 -2.008 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -5.742 0.000 -3.237 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.774 -0.920 -3.406 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.638 -1.200 -2.349 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.467 -0.560 -1.119 0.00 0.00 +0.008 A ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5