REMARK Name = BDB026553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.668 2.570 0.821 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -2.034 3.330 0.914 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -3.147 2.778 -0.017 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -3.461 3.760 -1.157 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -2.827 1.413 -0.458 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -1.580 1.321 -1.224 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -0.473 2.221 -0.669 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.452 3.529 1.250 0.00 0.00 +0.311 C ATOM 9 O LIG 1 0.279 4.696 1.575 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 1.695 3.001 1.232 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 1.696 2.028 1.062 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 -0.718 1.361 1.810 0.00 0.00 +0.076 C BRANCH 12 15 ATOM 13 C LIG 1 2.266 -0.613 0.806 0.00 0.00 +0.125 A ATOM 14 N LIG 1 1.444 0.437 1.077 0.00 0.00 -0.234 NA ATOM 15 C LIG 1 0.176 0.177 1.510 0.00 0.00 +0.080 A ATOM 16 C LIG 1 -0.284 -1.116 1.731 0.00 0.00 +0.148 A ATOM 17 F LIG 1 -1.518 -1.331 2.208 0.00 0.00 -0.203 F ATOM 18 C LIG 1 0.551 -2.192 1.462 0.00 0.00 -0.010 A ATOM 19 C LIG 1 0.070 -3.599 1.631 0.00 0.00 +0.047 C ATOM 20 C LIG 1 1.837 -1.926 0.977 0.00 0.00 +0.050 A BRANCH 13 21 ATOM 21 N LIG 1 3.538 -0.259 0.355 0.00 0.00 -0.283 N ATOM 22 H LIG 1 3.615 0.750 0.338 0.00 0.00 +0.155 HD BRANCH 21 28 ATOM 23 C LIG 1 8.075 -1.401 -1.230 0.00 0.00 +0.065 C ATOM 24 C LIG 1 6.678 -1.391 -0.746 0.00 0.00 +0.035 A ATOM 25 N LIG 1 5.969 -2.536 -0.523 0.00 0.00 -0.280 N ATOM 26 H LIG 1 6.274 -3.496 -0.647 0.00 0.00 +0.189 HD ATOM 27 N LIG 1 4.720 -2.319 -0.087 0.00 0.00 -0.158 NA ATOM 28 C LIG 1 4.606 -0.990 -0.024 0.00 0.00 +0.146 A ATOM 29 C LIG 1 5.814 -0.367 -0.431 0.00 0.00 +0.068 A ENDBRANCH 21 28 ENDBRANCH 13 21 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 30 ATOM 30 C LIG 1 -3.945 0.743 -1.142 0.00 0.00 +0.122 C BRANCH 30 31 ATOM 31 C LIG 1 -3.797 -0.761 -1.154 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -3.615 -1.454 -2.355 0.00 0.00 +0.146 A ATOM 33 F LIG 1 -3.580 -0.767 -3.509 0.00 0.00 -0.204 F ATOM 34 C LIG 1 -3.464 -2.841 -2.365 0.00 0.00 +0.076 A ATOM 35 CL LIG 1 -3.233 -3.687 -3.847 0.00 0.00 -0.081 Cl ATOM 36 C LIG 1 -3.496 -3.556 -1.167 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -3.679 -2.879 0.038 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -3.828 -1.490 0.045 0.00 0.00 +0.008 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8