REMARK Name = BDB006260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.806 -1.336 0.197 0.00 0.00 -0.229 N ATOM 2 C LIG 1 1.089 -0.520 -0.703 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.228 -0.675 -0.312 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.621 -0.259 -0.618 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.424 -1.199 0.238 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.580 -2.080 0.981 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.882 -2.968 1.763 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.235 -1.717 0.598 0.00 0.00 +0.154 A ATOM 9 N LIG 1 0.970 -2.211 0.843 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.822 -1.221 0.262 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.540 -1.984 1.111 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.929 -1.991 1.137 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.592 -2.852 2.108 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.703 -1.200 0.287 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.931 -1.179 0.299 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.920 -0.360 -0.669 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.779 0.634 -1.783 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.579 -0.390 -0.663 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.716 1.207 -0.209 0.00 0.00 -0.019 A ATOM 20 C LIG 1 -1.837 2.244 -1.169 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -1.911 1.982 -2.650 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -1.937 3.581 -0.737 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -1.901 3.900 0.618 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -2.014 5.542 1.115 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -1.776 2.897 1.569 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.687 1.565 1.160 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 30 ATOM 27 C LIG 1 5.802 -1.697 1.025 0.00 0.00 +0.321 A ATOM 28 N LIG 1 5.321 -0.449 0.916 0.00 0.00 -0.158 NA ATOM 29 C LIG 1 4.000 -0.338 0.665 0.00 0.00 +0.247 A ATOM 30 C LIG 1 3.178 -1.424 0.474 0.00 0.00 +0.145 A ATOM 31 C LIG 1 3.763 -2.655 0.672 0.00 0.00 +0.149 A ATOM 32 N LIG 1 5.077 -2.818 0.927 0.00 0.00 -0.201 NA BRANCH 27 34 ATOM 33 C LIG 1 7.875 -0.691 1.412 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.142 -1.900 1.268 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 3.430 0.915 0.729 0.00 0.00 -0.478 OA ATOM 36 C LIG 1 4.334 1.946 1.118 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 1.607 0.199 -1.925 0.00 0.00 +0.032 C ATOM 38 C LIG 1 2.763 -0.499 -2.638 0.00 0.00 +0.014 C ATOM 39 C LIG 1 1.881 1.684 -1.715 0.00 0.00 +0.014 C ENDBRANCH 2 37 TORSDOF 6