REMARK Name = BDB026982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.746 1.647 -0.352 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.867 1.400 -1.855 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.725 2.420 -2.809 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.853 2.142 -4.173 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.139 0.849 -4.603 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.310 -0.170 -3.670 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.182 0.105 -2.308 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -3.107 1.865 0.197 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 -3.398 2.808 -0.071 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 -2.928 2.897 2.461 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.309 1.659 1.640 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 -2.671 0.394 2.276 0.00 0.00 +0.053 C BRANCH 12 13 ATOM 13 C LIG 1 -2.919 -0.936 1.594 0.00 0.00 -0.046 A ATOM 14 C LIG 1 -1.897 -1.901 1.583 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.094 -3.142 0.973 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -3.318 -3.434 0.380 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -3.558 -4.959 -0.379 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 -4.349 -2.499 0.398 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -4.152 -1.257 1.009 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.810 2.827 -0.009 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -1.247 3.985 0.007 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.596 2.570 0.341 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.447 1.426 0.138 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.686 1.723 0.717 0.00 0.00 +0.048 A ATOM 25 C LIG 1 3.767 0.826 0.728 0.00 0.00 +0.034 A ATOM 26 C LIG 1 3.607 -0.428 0.123 0.00 0.00 -0.013 A ATOM 27 C LIG 1 2.388 -0.742 -0.483 0.00 0.00 +0.009 A ATOM 28 N LIG 1 2.610 2.998 1.222 0.00 0.00 -0.360 N ATOM 29 H LIG 1 3.369 3.479 1.686 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 1.317 0.166 -0.486 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.371 3.517 0.994 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 4.711 -1.374 0.119 0.00 0.00 +0.020 A ATOM 33 C LIG 1 4.587 -2.749 0.102 0.00 0.00 +0.116 A ATOM 34 N LIG 1 5.857 -3.251 0.120 0.00 0.00 -0.274 N ATOM 35 C LIG 1 6.242 -4.641 0.112 0.00 0.00 +0.172 C ATOM 36 N LIG 1 6.808 -2.301 0.155 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 6.110 -1.162 0.152 0.00 0.00 +0.142 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8