REMARK Name = BDB039286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.295 -0.865 0.151 0.00 0.00 +0.097 A ATOM 2 N LIG 1 1.739 -1.694 -0.754 0.00 0.00 -0.147 NA ATOM 3 N LIG 1 0.382 -1.658 -1.007 0.00 0.00 -0.133 NA ATOM 4 C LIG 1 -0.432 -0.803 -0.352 0.00 0.00 +0.149 A ATOM 5 C LIG 1 0.100 0.058 0.606 0.00 0.00 +0.016 A ATOM 6 C LIG 1 1.485 0.018 0.851 0.00 0.00 +0.039 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.568 -1.265 0.672 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.771 -2.355 0.317 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.326 -3.563 0.133 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.392 -2.226 0.146 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.750 -0.989 0.334 0.00 0.00 +0.040 A ATOM 12 C LIG 1 4.569 0.096 0.685 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.042 1.317 0.859 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.953 -0.030 0.855 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.748 -0.420 1.127 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.904 -1.520 0.811 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.825 -0.778 -0.619 0.00 0.00 -0.312 N ATOM 18 C LIG 1 -2.479 -1.888 0.129 0.00 0.00 +0.131 C ATOM 19 C LIG 1 -3.948 -2.171 -0.379 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.469 -0.953 -1.169 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.543 -0.544 -2.325 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.074 -0.882 -2.066 0.00 0.00 +0.106 C BRANCH 19 23 ATOM 23 N LIG 1 -3.916 -3.335 -1.310 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.628 -4.158 -0.771 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.871 -3.548 -1.613 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.841 -2.502 0.864 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -6.346 -2.625 0.573 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.576 -3.351 -0.549 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.890 -1.400 0.376 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.327 -3.699 1.490 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.823 -3.854 2.314 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.750 1.065 1.331 0.00 0.00 +0.163 C BRANCH 32 33 ATOM 33 N LIG 1 -0.745 2.346 0.654 0.00 0.00 -0.310 N ATOM 34 C LIG 1 0.094 3.393 0.918 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -0.312 4.397 0.054 0.00 0.00 +0.147 A ATOM 36 C LIG 1 0.403 5.605 0.114 0.00 0.00 +0.147 A ATOM 37 N LIG 1 1.439 5.701 0.979 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 1.717 4.638 1.765 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -1.376 3.979 -0.722 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 1.096 3.442 1.812 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -1.610 2.743 -0.331 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 0.113 6.701 -0.689 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -0.413 6.456 -1.521 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 0.913 7.309 -0.802 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10