REMARK Name = BDB007228 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.952 -0.062 2.447 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.238 0.956 1.798 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -4.080 0.675 1.068 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -3.646 -0.650 0.921 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -2.479 -1.010 0.013 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -1.696 -2.172 0.510 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -2.372 -3.234 1.160 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -3.869 -3.079 1.404 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -1.874 -4.318 1.502 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -4.343 -1.669 1.572 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -5.494 -1.375 2.327 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.935 -1.153 -1.449 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -3.134 0.007 -2.227 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.572 -0.079 -3.552 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.815 -1.329 -4.119 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -4.354 -1.434 -5.750 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.619 -2.490 -3.373 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.181 -2.404 -2.049 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -0.272 -2.229 0.177 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.313 -1.316 -0.714 0.00 0.00 +0.025 A ATOM 21 C LIG 1 1.686 -1.362 -1.046 0.00 0.00 +0.025 A ATOM 22 C LIG 1 2.561 -2.325 -0.529 0.00 0.00 +0.030 A ATOM 23 C LIG 1 1.974 -3.233 0.362 0.00 0.00 +0.025 A ATOM 24 C LIG 1 0.609 -3.184 0.715 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 3.907 -2.373 -0.860 0.00 0.00 -0.333 N ATOM 26 C LIG 1 4.745 -3.470 -0.376 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 4.530 -1.413 -1.782 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 4.887 -0.088 -1.074 0.00 0.00 +0.006 C ATOM 29 C LIG 1 5.245 0.984 -2.118 0.00 0.00 +0.006 C ATOM 30 C LIG 1 5.709 2.296 -1.479 0.00 0.00 +0.019 C ATOM 31 C LIG 1 6.880 2.065 -0.504 0.00 0.00 +0.056 C ATOM 32 C LIG 1 6.460 1.044 0.570 0.00 0.00 +0.019 C ATOM 33 C LIG 1 6.035 -0.279 -0.068 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 7.406 3.351 0.005 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 8.769 3.206 0.514 0.00 0.00 +0.104 C ATOM 36 C LIG 1 6.561 4.008 1.006 0.00 0.00 +0.104 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 38 ATOM 37 C LIG 1 -7.685 -0.651 3.976 0.00 0.00 +0.277 C ATOM 38 O LIG 1 -7.075 0.322 3.132 0.00 0.00 -0.491 OA ENDBRANCH 1 38 BRANCH 2 39 ATOM 39 O LIG 1 -5.633 2.268 1.885 0.00 0.00 -0.486 OA BRANCH 39 40 ATOM 40 C LIG 1 -6.582 2.593 0.851 0.00 0.00 +0.167 C ATOM 41 C LIG 1 -7.806 3.229 1.514 0.00 0.00 +0.051 C ATOM 42 C LIG 1 -5.921 3.586 -0.101 0.00 0.00 +0.051 C ENDBRANCH 39 40 ENDBRANCH 2 39 TORSDOF 9