REMARK Name = BDB040759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.102 -2.380 -2.421 0.00 0.00 +0.401 C ATOM 2 N LIG 1 -0.040 -1.740 -2.805 0.00 0.00 -0.275 N ATOM 3 H LIG 1 -0.464 -2.143 -3.631 0.00 0.00 +0.152 HD ATOM 4 O LIG 1 1.544 -3.344 -3.028 0.00 0.00 -0.226 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.619 -0.565 -2.131 0.00 0.00 +0.111 C ATOM 6 C LIG 1 -2.049 -0.195 -2.569 0.00 0.00 +0.129 C ATOM 7 N LIG 1 -2.346 0.006 -1.177 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -1.257 -0.832 -0.754 0.00 0.00 +0.129 C BRANCH 7 9 ATOM 9 C LIG 1 -3.619 0.111 -0.585 0.00 0.00 +0.035 A ATOM 10 C LIG 1 -4.725 0.542 -1.323 0.00 0.00 +0.062 A ATOM 11 C LIG 1 -5.983 0.652 -0.727 0.00 0.00 +0.132 A ATOM 12 F LIG 1 -7.001 1.088 -1.481 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -6.190 0.343 0.616 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -5.074 -0.062 1.349 0.00 0.00 +0.132 A ATOM 15 F LIG 1 -5.203 -0.340 2.655 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.810 -0.178 0.769 0.00 0.00 +0.062 A BRANCH 13 17 ATOM 17 C LIG 1 -7.537 0.452 1.298 0.00 0.00 +0.111 C ATOM 18 C LIG 1 -8.702 0.004 0.425 0.00 0.00 +0.227 C ATOM 19 O LIG 1 -8.854 -1.167 0.079 0.00 0.00 -0.275 OA ATOM 20 N LIG 1 -9.574 0.975 -0.004 0.00 0.00 -0.256 N ATOM 21 H LIG 1 -10.321 0.656 -0.605 0.00 0.00 +0.157 HD ATOM 22 C LIG 1 -9.420 2.336 0.071 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -10.185 3.093 -0.521 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -8.233 2.842 0.853 0.00 0.00 +0.097 C ATOM 25 C LIG 1 -7.795 1.835 1.904 0.00 0.00 +0.027 C ENDBRANCH 13 17 ENDBRANCH 7 9 ENDBRANCH 2 5 BRANCH 1 26 ATOM 26 O LIG 1 1.666 -1.829 -1.316 0.00 0.00 -0.444 OA BRANCH 26 32 ATOM 27 C LIG 1 6.399 -2.008 1.843 0.00 0.00 +0.140 C ATOM 28 N LIG 1 6.500 -0.958 0.830 0.00 0.00 -0.258 N ATOM 29 C LIG 1 6.012 -1.208 -0.464 0.00 0.00 +0.309 C ATOM 30 N LIG 1 4.885 -2.018 -0.519 0.00 0.00 -0.278 N ATOM 31 C LIG 1 3.652 -1.750 0.234 0.00 0.00 +0.155 C ATOM 32 C LIG 1 2.892 -2.468 -0.892 0.00 0.00 +0.213 C ATOM 33 C LIG 1 4.139 -2.249 -1.765 0.00 0.00 +0.155 C ATOM 34 O LIG 1 6.508 -0.765 -1.500 0.00 0.00 -0.252 OA BRANCH 28 35 ATOM 35 C LIG 1 7.276 0.219 1.143 0.00 0.00 +0.038 A ATOM 36 C LIG 1 7.946 0.349 2.373 0.00 0.00 +0.025 A ATOM 37 C LIG 1 8.684 1.499 2.692 0.00 0.00 +0.020 A ATOM 38 C LIG 1 8.759 2.559 1.791 0.00 0.00 +0.052 A ATOM 39 C LIG 1 8.087 2.464 0.575 0.00 0.00 +0.020 A ATOM 40 C LIG 1 7.351 1.311 0.263 0.00 0.00 +0.025 A BRANCH 38 41 ATOM 41 C LIG 1 9.512 3.735 2.115 0.00 0.00 +0.099 C ATOM 42 N LIG 1 10.119 4.686 2.385 0.00 0.00 -0.191 NA ENDBRANCH 38 41 ENDBRANCH 28 35 ENDBRANCH 26 32 ENDBRANCH 1 26 TORSDOF 7