REMARK Name = BDB056863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.553 -4.891 -1.819 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.310 -4.458 -1.085 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.264 -3.149 -0.622 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.067 -2.791 0.165 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.949 -1.313 0.289 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.905 -0.506 0.809 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -1.220 0.796 0.717 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.433 0.826 0.132 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -2.917 -0.422 -0.119 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -4.202 -0.809 -0.747 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.466 -2.303 -0.455 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -2.382 -5.251 -0.922 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.366 -0.939 1.386 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.615 -0.544 0.831 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.807 -1.013 1.424 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.047 -0.641 0.883 0.00 0.00 +0.037 A ATOM 17 C LIG 1 4.087 0.192 -0.228 0.00 0.00 +0.076 A ATOM 18 N LIG 1 2.969 0.644 -0.834 0.00 0.00 -0.254 NA ATOM 19 C LIG 1 2.741 -1.851 2.549 0.00 0.00 +0.008 A ATOM 20 C LIG 1 1.514 -2.228 3.091 0.00 0.00 +0.001 A ATOM 21 C LIG 1 1.779 0.280 -0.294 0.00 0.00 +0.120 A ATOM 22 C LIG 1 0.332 -1.774 2.514 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.324 0.617 -0.857 0.00 0.00 +0.055 A ATOM 24 C LIG 1 6.531 0.921 -0.250 0.00 0.00 +0.147 A ATOM 25 N LIG 1 7.378 1.300 -1.259 0.00 0.00 -0.256 N ATOM 26 C LIG 1 8.757 1.715 -1.131 0.00 0.00 +0.174 C ATOM 27 N LIG 1 6.806 1.283 -2.477 0.00 0.00 -0.178 NA ATOM 28 C LIG 1 5.553 0.894 -2.227 0.00 0.00 +0.145 A BRANCH 24 29 ATOM 29 C LIG 1 6.897 0.902 1.120 0.00 0.00 +0.119 C ATOM 30 N LIG 1 7.221 0.867 2.233 0.00 0.00 -0.189 NA ENDBRANCH 24 29 ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 31 ATOM 31 C LIG 1 -3.065 2.108 -0.156 0.00 0.00 +0.112 C ATOM 32 C LIG 1 -3.522 2.813 1.123 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -4.144 4.157 0.777 0.00 0.00 +0.162 C ATOM 34 O LIG 1 -3.239 4.959 0.023 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -2.868 4.361 -1.218 0.00 0.00 +0.162 C ATOM 36 C LIG 1 -2.168 3.031 -0.989 0.00 0.00 +0.055 C ENDBRANCH 8 31 TORSDOF 4