REMARK Name = BDB019615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.631 1.029 -0.422 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.633 -0.331 -0.087 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.671 -1.174 -0.518 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.704 -0.626 -1.294 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.723 0.737 -1.629 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.682 1.560 -1.180 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.677 -2.595 -0.151 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.534 -3.135 0.825 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -3.532 -2.281 1.558 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -2.526 -4.448 1.174 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -1.655 -5.255 0.538 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -1.645 -6.551 0.881 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -0.775 -4.826 -0.434 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -0.786 -3.478 -0.780 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.678 1.398 0.257 0.00 0.00 -0.305 N ATOM 16 H LIG 1 1.868 0.469 -0.091 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.436 1.954 0.046 0.00 0.00 +0.245 C ATOM 18 O LIG 1 0.188 3.145 0.197 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.822 2.205 0.653 0.00 0.00 +0.101 C ATOM 20 C LIG 1 2.728 2.633 2.121 0.00 0.00 +0.033 C BRANCH 19 23 ATOM 21 C LIG 1 6.172 1.204 -0.898 0.00 0.00 +0.124 A ATOM 22 C LIG 1 4.991 1.897 -0.612 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.104 1.442 0.372 0.00 0.00 -0.021 A ATOM 24 C LIG 1 4.422 0.261 1.059 0.00 0.00 +0.051 A ATOM 25 C LIG 1 5.597 -0.443 0.780 0.00 0.00 +0.124 A ATOM 26 C LIG 1 6.473 0.032 -0.200 0.00 0.00 +0.091 A BRANCH 21 28 ATOM 27 C LIG 1 8.183 1.155 -2.173 0.00 0.00 +0.277 C ATOM 28 O LIG 1 6.936 1.774 -1.880 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 25 29 ATOM 29 O LIG 1 5.764 -1.577 1.528 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 6.971 -2.306 1.341 0.00 0.00 +0.277 C ENDBRANCH 25 29 ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -3.884 1.317 -2.399 0.00 0.00 +0.139 C BRANCH 31 32 ATOM 32 N LIG 1 -4.866 1.844 -1.475 0.00 0.00 -0.315 N ATOM 33 H LIG 1 -4.532 2.620 -0.924 0.00 0.00 +0.149 HD BRANCH 32 34 ATOM 34 C LIG 1 -5.831 1.072 -0.924 0.00 0.00 +0.175 C ATOM 35 N LIG 1 -6.542 1.583 0.127 0.00 0.00 -0.299 N ATOM 36 C LIG 1 -6.077 2.542 1.099 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -7.453 0.532 0.578 0.00 0.00 +0.205 C ATOM 38 C LIG 1 -7.189 -0.539 -0.478 0.00 0.00 +0.256 C ATOM 39 O LIG 1 -7.773 -1.613 -0.537 0.00 0.00 -0.272 OA ATOM 40 N LIG 1 -6.176 -0.120 -1.321 0.00 0.00 -0.150 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9