REMARK Name = LIG001933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.774 2.408 -1.344 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -2.819 1.685 -0.564 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.563 0.887 0.289 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.965 0.027 1.214 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.559 0.047 1.183 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.857 0.869 0.292 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -4.863 1.171 -0.024 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.698 0.774 0.388 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.462 1.707 -0.580 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -5.022 2.089 -0.991 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.623 0.883 0.246 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.377 -0.302 0.398 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.761 -0.239 0.350 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.770 -1.332 0.455 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.033 -0.609 0.422 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.850 0.737 0.139 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.692 1.583 -0.093 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.403 0.979 0.148 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.715 2.162 -0.020 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.319 2.103 0.030 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.306 -1.310 0.291 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.660 -1.552 -1.184 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.819 -1.732 -2.064 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.000 -1.684 -1.469 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.228 -1.879 -2.434 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.050 -1.710 -0.586 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.185 -1.991 -0.961 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.720 -1.470 0.869 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.464 -0.626 1.018 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -3.396 3.288 -2.302 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -2.403 3.503 -2.354 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -4.856 5.250 -1.952 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -4.272 4.252 -2.948 0.00 0.00 +0.066 C ATOM 34 C LIG 1 -5.349 3.579 -3.795 0.00 0.00 +0.027 C ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 4 35 ATOM 35 C LIG 1 -3.708 -0.870 2.172 0.00 0.00 +0.121 C BRANCH 35 36 ATOM 36 N LIG 1 -3.444 -2.288 1.925 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -4.000 -2.775 0.659 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -3.967 -4.288 0.823 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -3.964 -4.528 2.329 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -4.045 -3.143 2.950 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 6