REMARK Name = BDB009416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.794 2.709 -1.213 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.223 2.640 -2.533 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.355 2.758 -3.549 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.565 2.413 -2.820 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.483 2.253 -1.777 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.063 2.312 -0.438 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.709 2.564 -0.164 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 5.067 -0.032 -0.375 0.00 0.00 +0.265 C ATOM 9 N LIG 1 3.974 0.386 -1.148 0.00 0.00 -0.295 N ATOM 10 C LIG 1 3.713 1.832 -1.204 0.00 0.00 +0.127 C ATOM 11 C LIG 1 2.798 2.294 -0.061 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.389 1.982 -0.320 0.00 0.00 -0.296 N ATOM 13 C LIG 1 0.619 2.986 -0.919 0.00 0.00 +0.249 C ATOM 14 O LIG 1 1.044 4.106 -1.189 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.048 0.559 -0.402 0.00 0.00 +0.109 C ATOM 16 C LIG 1 1.520 -0.047 -1.723 0.00 0.00 +0.038 C ATOM 17 C LIG 1 2.970 -0.538 -1.684 0.00 0.00 +0.110 C ATOM 18 O LIG 1 5.636 0.757 0.379 0.00 0.00 -0.268 OA BRANCH 8 21 ATOM 19 C LIG 1 6.309 -1.681 1.907 0.00 0.00 +0.150 C ATOM 20 N LIG 1 6.076 -2.135 0.557 0.00 0.00 -0.330 N ATOM 21 C LIG 1 5.505 -1.408 -0.467 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.560 -2.277 -1.543 0.00 0.00 +0.143 A ATOM 23 N LIG 1 6.063 -3.500 -1.184 0.00 0.00 -0.243 NA ATOM 24 C LIG 1 6.371 -3.381 0.086 0.00 0.00 +0.199 A ENDBRANCH 8 21 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 C LIG 1 -4.056 2.142 0.691 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -3.692 1.000 1.637 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -4.183 -0.385 1.353 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -5.032 -0.674 0.148 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.184 -2.169 -0.149 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.426 -2.964 1.127 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.275 -2.775 2.116 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -3.829 -1.343 2.228 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -2.965 -1.010 3.389 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -2.597 -1.865 4.187 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -2.603 0.304 3.507 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -2.019 0.555 4.298 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -2.949 1.307 2.659 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4