REMARK Name = BDB052176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.432 -0.476 1.370 0.00 0.00 -0.030 A ATOM 2 C LIG 1 0.897 -0.453 0.076 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.478 -0.599 -0.136 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.337 -0.790 0.945 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.806 -0.838 2.236 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.566 -0.682 2.451 0.00 0.00 +0.009 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.916 -0.309 1.592 0.00 0.00 +0.146 C BRANCH 7 9 ATOM 8 C LIG 1 4.773 1.113 0.714 0.00 0.00 +0.409 C ATOM 9 N LIG 1 3.466 0.978 1.169 0.00 0.00 -0.252 N ATOM 10 O LIG 1 5.285 2.209 0.505 0.00 0.00 -0.226 OA BRANCH 8 11 ATOM 11 O LIG 1 5.417 -0.108 0.556 0.00 0.00 -0.411 OA BRANCH 11 16 ATOM 12 C LIG 1 10.669 -0.069 -1.615 0.00 0.00 +0.044 C ATOM 13 C LIG 1 9.283 -0.037 -1.041 0.00 0.00 -0.050 A ATOM 14 C LIG 1 9.068 -0.385 0.301 0.00 0.00 +0.007 A ATOM 15 C LIG 1 7.779 -0.388 0.834 0.00 0.00 +0.047 A ATOM 16 C LIG 1 6.706 -0.036 0.019 0.00 0.00 +0.133 A ATOM 17 C LIG 1 6.893 0.285 -1.324 0.00 0.00 +0.047 A ATOM 18 C LIG 1 8.185 0.285 -1.852 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 8 11 BRANCH 9 19 ATOM 19 C LIG 1 2.735 2.215 1.434 0.00 0.00 +0.231 C BRANCH 19 20 ATOM 20 C LIG 1 2.186 2.843 0.148 0.00 0.00 +0.322 C ATOM 21 O LIG 1 2.124 2.290 -0.942 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 O LIG 1 1.717 4.103 0.334 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 1.854 4.456 1.233 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 9 19 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 O LIG 1 -2.694 -0.949 0.882 0.00 0.00 -0.486 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.304 -0.814 -0.406 0.00 0.00 +0.288 C BRANCH 25 26 ATOM 26 C LIG 1 -4.782 -0.992 -0.317 0.00 0.00 +0.120 A ATOM 27 C LIG 1 -5.505 -1.974 0.327 0.00 0.00 +0.129 A ATOM 28 C LIG 1 -5.162 -3.150 1.144 0.00 0.00 +0.088 C ATOM 29 O LIG 1 -6.833 -1.724 0.120 0.00 0.00 -0.440 OA ATOM 30 C LIG 1 -6.851 -0.592 -0.652 0.00 0.00 +0.228 A ATOM 31 N LIG 1 -5.653 -0.123 -0.944 0.00 0.00 -0.210 NA BRANCH 30 32 ATOM 32 C LIG 1 -8.163 -0.075 -1.036 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -9.353 -0.732 -0.684 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -10.596 -0.214 -1.065 0.00 0.00 +0.021 A ATOM 35 C LIG 1 -10.658 0.967 -1.801 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 -12.186 1.603 -2.269 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 -9.490 1.635 -2.159 0.00 0.00 +0.021 A ATOM 38 C LIG 1 -8.249 1.114 -1.777 0.00 0.00 +0.014 A ENDBRANCH 30 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 11