REMARK Name = BDB007252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.640 -1.161 0.897 0.00 0.00 -0.260 N ATOM 2 C LIG 1 -1.742 -0.574 0.099 0.00 0.00 +0.142 C ATOM 3 C LIG 1 -3.096 -0.732 0.771 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.350 -1.862 1.550 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -4.616 -2.053 2.135 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -5.637 -1.113 1.956 0.00 0.00 +0.162 A ATOM 7 C LIG 1 -5.375 0.011 1.165 0.00 0.00 +0.163 A ATOM 8 C LIG 1 -2.271 -2.891 1.701 0.00 0.00 +0.132 C ATOM 9 C LIG 1 -4.115 0.215 0.596 0.00 0.00 +0.055 A ATOM 10 C LIG 1 -0.848 -2.366 1.589 0.00 0.00 +0.225 C ATOM 11 O LIG 1 0.048 -3.075 2.067 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 -1.776 -1.043 -1.361 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.373 -2.329 -1.759 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -1.423 -2.715 -3.103 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.877 -1.818 -4.067 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.925 -2.289 -5.720 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.283 -0.539 -3.700 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.236 -0.156 -2.357 0.00 0.00 +0.007 A ENDBRANCH 2 12 BRANCH 1 22 ATOM 19 C LIG 1 3.259 0.711 0.691 0.00 0.00 -0.030 A ATOM 20 C LIG 1 2.946 -0.203 1.702 0.00 0.00 +0.007 A ATOM 21 C LIG 1 1.675 -0.802 1.771 0.00 0.00 +0.024 A ATOM 22 C LIG 1 0.673 -0.537 0.825 0.00 0.00 +0.037 A ATOM 23 C LIG 1 1.002 0.380 -0.185 0.00 0.00 +0.024 A ATOM 24 C LIG 1 2.266 0.991 -0.252 0.00 0.00 +0.007 A BRANCH 19 25 ATOM 25 C LIG 1 4.646 1.345 0.627 0.00 0.00 +0.085 C ATOM 26 C LIG 1 4.543 2.875 0.701 0.00 0.00 +0.029 C BRANCH 25 28 ATOM 27 C LIG 1 6.790 0.393 -0.229 0.00 0.00 +0.167 C ATOM 28 N LIG 1 5.399 0.795 -0.502 0.00 0.00 -0.283 NA ATOM 29 C LIG 1 5.405 1.519 -1.765 0.00 0.00 +0.086 C ATOM 30 C LIG 1 6.409 0.744 -2.605 0.00 0.00 +0.017 C ATOM 31 C LIG 1 7.296 -0.006 -1.613 0.00 0.00 +0.031 C BRANCH 27 32 ATOM 32 C LIG 1 7.664 1.513 0.343 0.00 0.00 +0.324 C ATOM 33 O LIG 1 7.955 2.552 -0.236 0.00 0.00 -0.249 OA BRANCH 32 35 ATOM 34 C LIG 1 8.923 2.160 2.209 0.00 0.00 +0.280 C ATOM 35 O LIG 1 8.084 1.180 1.598 0.00 0.00 -0.467 OA ENDBRANCH 32 35 ENDBRANCH 27 32 ENDBRANCH 25 28 ENDBRANCH 19 25 ENDBRANCH 1 22 BRANCH 6 36 ATOM 36 O LIG 1 -6.897 -1.207 2.482 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 -7.173 -2.307 3.330 0.00 0.00 +0.277 C ENDBRANCH 6 36 BRANCH 7 38 ATOM 38 O LIG 1 -6.348 0.963 0.975 0.00 0.00 -0.486 OA BRANCH 38 39 ATOM 39 C LIG 1 -6.970 0.833 -0.319 0.00 0.00 +0.167 C ATOM 40 C LIG 1 -6.748 2.139 -1.070 0.00 0.00 +0.051 C ATOM 41 C LIG 1 -8.467 0.595 -0.113 0.00 0.00 +0.051 C ENDBRANCH 38 39 ENDBRANCH 7 38 TORSDOF 9