REMARK Name = LIG000980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.472 4.301 1.097 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.618 3.284 0.586 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.454 2.424 -0.108 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.972 1.284 -0.758 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.583 1.099 -0.631 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.787 2.000 0.088 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -4.703 2.966 0.035 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.579 2.608 -0.329 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.277 3.107 0.692 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -4.741 4.112 0.738 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.673 1.804 0.236 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.229 0.520 0.428 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.603 0.386 0.558 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.423 -0.836 0.803 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.793 -0.333 0.715 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.812 1.058 0.682 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.767 1.804 0.784 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.427 1.504 0.509 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.935 2.781 0.338 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.550 2.921 0.203 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 5.954 -1.131 1.133 0.00 0.00 +0.163 C ATOM 22 C LIG 1 5.656 -2.639 1.107 0.00 0.00 +0.240 C ATOM 23 O LIG 1 4.947 -3.193 1.947 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 6.084 -3.336 0.002 0.00 0.00 -0.255 N ATOM 25 H LIG 1 5.795 -4.304 -0.046 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 6.604 -2.819 -1.157 0.00 0.00 +0.219 C ATOM 27 O LIG 1 6.687 -3.508 -2.170 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 6.998 -1.363 -1.135 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.210 -0.876 0.291 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -3.055 5.340 1.840 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -2.065 5.563 1.841 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -3.671 6.141 1.901 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 -3.817 0.303 -1.531 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -3.831 -1.040 -0.931 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -4.444 -1.035 0.412 0.00 0.00 +0.087 C ATOM 36 C LIG 1 -4.878 -2.430 0.848 0.00 0.00 +0.052 C ATOM 37 C LIG 1 -5.955 -2.963 -0.088 0.00 0.00 +0.168 C ATOM 38 F LIG 1 -7.177 -2.620 0.412 0.00 0.00 -0.245 F ATOM 39 C LIG 1 -5.859 -2.393 -1.497 0.00 0.00 +0.052 C ATOM 40 C LIG 1 -4.420 -2.036 -1.841 0.00 0.00 +0.087 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5