REMARK Name = BDB035476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.634 -0.364 0.828 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.506 -0.928 1.409 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.701 -1.386 2.521 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.565 -0.896 0.394 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.872 -1.336 0.497 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.702 -1.196 -0.623 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.187 -0.606 -1.803 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.854 -0.160 -1.891 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.053 -0.322 -0.764 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.380 0.045 -0.549 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.264 0.583 1.292 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -2.969 0.399 0.744 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.904 -0.195 1.446 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.149 -0.609 2.757 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.406 -0.441 3.340 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.443 0.145 2.616 0.00 0.00 +0.007 A BRANCH 11 20 ATOM 17 C LIG 1 -7.000 3.750 1.970 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -6.764 2.836 0.786 0.00 0.00 +0.120 C ATOM 19 O LIG 1 -6.684 1.452 1.208 0.00 0.00 -0.358 OA ATOM 20 C LIG 1 -5.445 1.260 0.444 0.00 0.00 +0.156 C ATOM 21 C LIG 1 -5.344 2.792 0.224 0.00 0.00 +0.079 C BRANCH 20 22 ATOM 22 C LIG 1 -5.660 0.460 -0.902 0.00 0.00 +0.170 A ATOM 23 N LIG 1 -6.452 -0.639 -1.079 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -7.268 -1.294 -0.095 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.305 -1.000 -2.382 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.469 -0.177 -2.974 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.059 0.745 -2.039 0.00 0.00 -0.131 NA ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.310 0.464 -3.148 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.798 1.706 -2.925 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.295 -0.267 -3.683 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.233 0.608 -4.136 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.147 -1.643 -0.568 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.033 -0.479 -0.503 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.700 0.132 0.244 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.449 -0.863 -0.373 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.743 -1.345 1.075 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.960 -0.395 1.079 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.243 0.429 -0.013 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.008 -1.654 -1.542 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7