REMARK Name = BDB019620 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.734 1.063 -1.185 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.199 -0.051 -1.843 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.953 -1.224 -2.006 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.269 -1.241 -1.503 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.831 -0.118 -0.870 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.050 1.034 -0.716 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.388 -2.404 -2.698 0.00 0.00 +0.024 A ATOM 8 C LIG 1 0.841 -2.999 -2.312 0.00 0.00 +0.130 A ATOM 9 C LIG 1 1.336 -4.102 -3.018 0.00 0.00 +0.084 A ATOM 10 C LIG 1 0.620 -4.616 -4.094 0.00 0.00 +0.127 A ATOM 11 F LIG 1 1.109 -5.670 -4.765 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -0.587 -4.060 -4.486 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -1.086 -2.957 -3.793 0.00 0.00 +0.015 A BRANCH 8 14 ATOM 14 O LIG 1 1.470 -2.444 -1.225 0.00 0.00 -0.494 OA ATOM 15 C LIG 1 2.740 -2.964 -0.854 0.00 0.00 +0.277 C ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 1.389 2.089 -0.661 0.00 0.00 -0.306 N ATOM 17 H LIG 1 1.763 1.157 -0.507 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 0.068 2.291 -0.965 0.00 0.00 +0.244 C ATOM 19 O LIG 1 -0.462 3.394 -1.015 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 2.276 3.181 -0.319 0.00 0.00 +0.160 C BRANCH 20 23 ATOM 21 C LIG 1 5.324 3.141 1.935 0.00 0.00 +0.123 A ATOM 22 C LIG 1 4.239 3.604 1.193 0.00 0.00 +0.070 A ATOM 23 C LIG 1 3.478 2.695 0.463 0.00 0.00 +0.062 A ATOM 24 N LIG 1 3.782 1.368 0.412 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 4.844 0.952 1.134 0.00 0.00 +0.114 A ATOM 26 C LIG 1 5.639 1.788 1.901 0.00 0.00 +0.065 A BRANCH 21 28 ATOM 27 C LIG 1 6.923 3.648 3.616 0.00 0.00 +0.277 C ATOM 28 O LIG 1 5.992 4.106 2.640 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -4.232 -0.164 -0.310 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -4.168 -0.434 1.111 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -3.546 -1.206 1.331 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.268 -0.490 1.889 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -6.230 0.447 1.695 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -5.854 1.368 1.499 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -7.117 0.377 2.838 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -6.775 -1.006 3.401 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -5.436 -1.354 2.849 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9