REMARK Name = BDB044658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.158 0.989 -1.355 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -3.055 0.459 -0.401 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -2.561 -0.424 0.572 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -1.208 -0.776 0.620 0.00 0.00 +0.143 A ATOM 5 C LIG 1 -0.313 -0.267 -0.333 0.00 0.00 +0.078 A ATOM 6 C LIG 1 -0.807 0.618 -1.310 0.00 0.00 +0.052 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.998 2.550 -3.314 0.00 0.00 +0.241 C ATOM 8 N LIG 1 -2.673 1.880 -2.325 0.00 0.00 -0.280 N ATOM 9 H LIG 1 -3.656 2.071 -2.214 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -0.795 2.543 -3.542 0.00 0.00 -0.271 OA BRANCH 7 12 ATOM 11 C LIG 1 -4.127 3.151 -4.507 0.00 0.00 +0.013 C ATOM 12 C LIG 1 -2.865 3.426 -4.151 0.00 0.00 +0.060 C ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 2 13 ATOM 13 N LIG 1 -4.428 0.738 -0.359 0.00 0.00 -0.330 N ATOM 14 C LIG 1 -4.799 2.014 0.233 0.00 0.00 +0.129 C BRANCH 13 15 ATOM 15 C LIG 1 -5.260 0.157 -1.419 0.00 0.00 +0.120 C BRANCH 15 16 ATOM 16 C LIG 1 -6.576 -0.460 -0.872 0.00 0.00 +0.102 C BRANCH 16 17 ATOM 17 N LIG 1 -6.440 -1.484 0.185 0.00 0.00 -0.307 NA ATOM 18 C LIG 1 -7.756 -1.873 0.689 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -5.712 -2.663 -0.284 0.00 0.00 +0.104 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 2 13 BRANCH 4 20 ATOM 20 O LIG 1 -0.751 -1.724 1.504 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 -1.179 -1.499 2.844 0.00 0.00 +0.277 C ENDBRANCH 4 20 BRANCH 5 22 ATOM 22 N LIG 1 1.065 -0.541 -0.320 0.00 0.00 -0.281 N ATOM 23 H LIG 1 1.558 -0.425 -1.193 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 1.986 -0.370 0.716 0.00 0.00 +0.220 A ATOM 25 N LIG 1 3.270 -0.519 0.360 0.00 0.00 -0.214 NA ATOM 26 C LIG 1 4.210 -0.322 1.309 0.00 0.00 +0.078 A ATOM 27 C LIG 1 3.903 0.017 2.606 0.00 0.00 +0.048 A ATOM 28 C LIG 1 2.567 0.162 2.872 0.00 0.00 +0.116 A ATOM 29 N LIG 1 1.604 -0.012 1.953 0.00 0.00 -0.223 NA BRANCH 26 30 ATOM 30 C LIG 1 5.592 -0.513 0.889 0.00 0.00 +0.026 A ATOM 31 C LIG 1 6.786 0.202 1.236 0.00 0.00 +0.009 A ATOM 32 C LIG 1 7.851 -0.418 0.571 0.00 0.00 +0.049 A ATOM 33 C LIG 1 9.177 0.028 0.699 0.00 0.00 +0.026 A ATOM 34 C LIG 1 9.424 1.135 1.514 0.00 0.00 +0.002 A ATOM 35 C LIG 1 8.384 1.782 2.174 0.00 0.00 +0.001 A ATOM 36 N LIG 1 7.317 -1.453 -0.167 0.00 0.00 -0.349 N ATOM 37 C LIG 1 8.073 -2.342 -1.020 0.00 0.00 +0.149 C ATOM 38 C LIG 1 7.067 1.329 2.041 0.00 0.00 +0.010 A ATOM 39 C LIG 1 5.963 -1.515 0.012 0.00 0.00 +0.096 A ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 5 22 TORSDOF 10