REMARK Name = BDB020766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.165 1.420 -0.518 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.410 0.280 -1.057 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.202 -0.983 -1.293 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.913 0.451 -1.342 0.00 0.00 +0.044 A ATOM 5 N LIG 1 1.469 1.753 -1.169 0.00 0.00 -0.318 N ATOM 6 C LIG 1 0.745 2.856 -0.701 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.582 3.964 -0.648 0.00 0.00 +0.027 A ATOM 8 C LIG 1 2.853 3.530 -1.107 0.00 0.00 +0.030 A ATOM 9 C LIG 1 2.754 2.196 -1.425 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.621 2.639 -0.361 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.199 5.296 -0.193 0.00 0.00 +0.095 A ATOM 12 N LIG 1 -0.064 5.705 -0.433 0.00 0.00 -0.149 NA ATOM 13 N LIG 1 -0.476 6.954 -0.035 0.00 0.00 -0.154 NA ATOM 14 C LIG 1 0.385 7.780 0.593 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -0.117 9.127 1.003 0.00 0.00 +0.067 C ATOM 16 C LIG 1 1.691 7.393 0.851 0.00 0.00 +0.027 A ATOM 17 C LIG 1 2.106 6.127 0.449 0.00 0.00 +0.032 A ENDBRANCH 7 11 BRANCH 1 20 ATOM 18 N LIG 1 -2.663 0.576 1.128 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -1.821 0.194 1.547 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -2.571 1.292 -0.038 0.00 0.00 +0.245 C ATOM 21 O LIG 1 -3.515 1.790 -0.636 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.923 0.204 1.726 0.00 0.00 +0.149 C BRANCH 22 24 ATOM 23 C LIG 1 -5.144 -1.845 0.891 0.00 0.00 +0.132 A ATOM 24 C LIG 1 -4.134 -1.269 1.569 0.00 0.00 +0.075 A ATOM 25 C LIG 1 -3.163 -2.169 2.262 0.00 0.00 +0.257 A ATOM 26 O LIG 1 -2.224 -1.730 2.921 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 -3.363 -3.521 2.117 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -2.684 -4.112 2.582 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -4.367 -4.085 1.367 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.401 -5.579 1.278 0.00 0.00 +0.063 C ATOM 31 C LIG 1 -5.246 -3.281 0.751 0.00 0.00 +0.067 A BRANCH 23 33 ATOM 32 C LIG 1 -7.295 -0.979 0.938 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -6.085 -1.120 0.194 0.00 0.00 -0.495 OA ENDBRANCH 23 33 ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 4 34 ATOM 34 C LIG 1 1.857 -0.672 -1.819 0.00 0.00 +0.101 C ATOM 35 C LIG 1 1.753 -0.739 -3.355 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 1.619 -1.974 -1.135 0.00 0.00 -0.292 NA ATOM 37 C LIG 1 1.976 -1.902 0.309 0.00 0.00 +0.100 C ATOM 38 C LIG 1 3.399 -2.402 0.692 0.00 0.00 +0.100 C ATOM 39 N LIG 1 4.353 -2.283 -0.418 0.00 0.00 -0.292 NA ATOM 40 C LIG 1 3.892 -3.060 -1.583 0.00 0.00 +0.100 C ATOM 41 C LIG 1 2.347 -3.111 -1.730 0.00 0.00 +0.100 C BRANCH 39 42 ATOM 42 C LIG 1 5.752 -2.587 -0.032 0.00 0.00 +0.198 C BRANCH 42 43 ATOM 43 C LIG 1 6.116 -3.911 0.674 0.00 0.00 +0.402 C ATOM 44 F LIG 1 5.521 -4.014 1.883 0.00 0.00 -0.169 F ATOM 45 F LIG 1 7.453 -3.982 0.877 0.00 0.00 -0.169 F ATOM 46 F LIG 1 5.762 -4.991 -0.056 0.00 0.00 -0.169 F ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 34 36 ENDBRANCH 4 34 TORSDOF 9