REMARK Name = BDB006284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.798 -0.976 -0.862 0.00 0.00 -0.229 N ATOM 2 C LIG 1 -0.983 0.173 -0.807 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.296 -0.335 -0.706 0.00 0.00 +0.031 A ATOM 4 C LIG 1 1.720 0.059 -0.622 0.00 0.00 +0.146 C ATOM 5 N LIG 1 2.425 -1.253 -0.791 0.00 0.00 -0.253 N ATOM 6 C LIG 1 1.496 -2.324 -0.971 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.701 -3.512 -1.156 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.193 -1.697 -0.915 0.00 0.00 +0.154 A ATOM 9 N LIG 1 -1.053 -2.100 -1.120 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.820 -1.358 -0.831 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.628 -0.277 -0.808 0.00 0.00 +0.112 A ATOM 12 N LIG 1 6.011 -0.361 -0.847 0.00 0.00 -0.315 N ATOM 13 C LIG 1 6.782 0.874 -0.816 0.00 0.00 +0.152 C ATOM 14 C LIG 1 6.689 -1.581 -0.918 0.00 0.00 +0.270 A ATOM 15 O LIG 1 7.913 -1.676 -0.964 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 5.808 -2.788 -0.931 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 6.553 -4.340 -0.988 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 4.474 -2.657 -0.888 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 1.886 0.709 0.739 0.00 0.00 -0.022 A ATOM 20 C LIG 1 1.931 -0.037 1.931 0.00 0.00 +0.007 A ATOM 21 C LIG 1 2.082 0.599 3.167 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.187 1.986 3.225 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 2.368 2.768 4.746 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 2.144 2.744 2.058 0.00 0.00 +0.020 A ATOM 25 C LIG 1 1.994 2.110 0.822 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 -5.858 -1.480 -0.676 0.00 0.00 +0.321 A ATOM 27 N LIG 1 -5.308 -0.677 0.249 0.00 0.00 -0.158 NA ATOM 28 C LIG 1 -3.968 -0.536 0.196 0.00 0.00 +0.247 A ATOM 29 C LIG 1 -3.189 -1.123 -0.773 0.00 0.00 +0.145 A ATOM 30 C LIG 1 -3.847 -1.977 -1.630 0.00 0.00 +0.149 A ATOM 31 N LIG 1 -5.184 -2.154 -1.616 0.00 0.00 -0.201 NA BRANCH 26 33 ATOM 32 C LIG 1 -7.901 -0.988 0.344 0.00 0.00 +0.280 C ATOM 33 O LIG 1 -7.222 -1.668 -0.702 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -3.341 0.118 1.235 0.00 0.00 -0.478 OA ATOM 35 C LIG 1 -4.220 0.518 2.283 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 -1.378 1.617 -1.005 0.00 0.00 +0.032 C ATOM 37 C LIG 1 -1.679 2.377 0.281 0.00 0.00 +0.014 C ATOM 38 C LIG 1 -2.460 1.831 -2.062 0.00 0.00 +0.014 C ENDBRANCH 2 36 TORSDOF 6