REMARK Name = BDB012693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.295 0.165 0.873 0.00 0.00 -0.262 N ATOM 2 C LIG 1 0.571 -0.383 2.099 0.00 0.00 +0.071 A ATOM 3 C LIG 1 1.962 -0.453 2.149 0.00 0.00 +0.044 A ATOM 4 C LIG 1 2.577 -0.982 3.303 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.765 -1.417 4.349 0.00 0.00 +0.124 A ATOM 6 C LIG 1 0.379 -1.343 4.282 0.00 0.00 +0.040 A ATOM 7 F LIG 1 2.338 -1.922 5.451 0.00 0.00 -0.205 F ATOM 8 C LIG 1 2.414 0.079 0.901 0.00 0.00 +0.153 A ATOM 9 C LIG 1 -0.251 -0.822 3.148 0.00 0.00 +0.031 A ATOM 10 N LIG 1 1.384 0.450 0.139 0.00 0.00 -0.155 NA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 3.732 0.164 0.599 0.00 0.00 -0.296 N ATOM 12 H LIG 1 4.390 -0.171 1.308 0.00 0.00 +0.154 HD BRANCH 11 13 ATOM 13 C LIG 1 4.410 0.641 -0.549 0.00 0.00 +0.065 A ATOM 14 C LIG 1 5.820 0.628 -0.631 0.00 0.00 +0.083 A ATOM 15 C LIG 1 6.475 1.105 -1.776 0.00 0.00 +0.036 A ATOM 16 C LIG 1 5.710 1.586 -2.817 0.00 0.00 +0.111 A ATOM 17 N LIG 1 4.367 1.622 -2.792 0.00 0.00 -0.261 NA ATOM 18 C LIG 1 3.756 1.153 -1.670 0.00 0.00 +0.134 A BRANCH 14 19 ATOM 19 C LIG 1 6.623 0.104 0.504 0.00 0.00 +0.339 C ATOM 20 O LIG 1 6.171 -0.336 1.548 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 7.950 0.151 0.290 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 8.345 -0.220 1.107 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 14 19 ENDBRANCH 11 13 ENDBRANCH 8 11 BRANCH 1 23 ATOM 23 C LIG 1 -1.020 0.459 0.322 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 C LIG 1 -1.601 -0.744 -0.422 0.00 0.00 +0.027 C BRANCH 24 29 ATOM 25 C LIG 1 -6.927 0.696 -2.045 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -5.619 0.155 -1.686 0.00 0.00 -0.305 NA ATOM 27 C LIG 1 -4.560 0.730 -2.530 0.00 0.00 +0.084 C ATOM 28 C LIG 1 -3.162 0.671 -1.894 0.00 0.00 +0.019 C ATOM 29 C LIG 1 -3.023 -0.547 -0.977 0.00 0.00 -0.007 C ATOM 30 C LIG 1 -4.097 -0.504 0.129 0.00 0.00 +0.019 C ATOM 31 C LIG 1 -5.335 0.315 -0.263 0.00 0.00 +0.084 C ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7