REMARK Name = BDB041570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.179 0.494 1.407 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.903 1.768 0.851 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.590 2.180 0.553 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.565 1.278 0.824 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.092 1.414 0.608 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.431 0.144 1.068 0.00 0.00 -0.248 N ATOM 7 C LIG 1 0.575 -0.699 1.542 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.540 -1.813 2.032 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.840 0.029 1.372 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.123 -0.388 1.674 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.797 -0.202 1.007 0.00 0.00 +0.130 A ATOM 12 N LIG 1 -2.151 -1.442 1.369 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -3.432 -1.820 1.287 0.00 0.00 +0.122 A ATOM 14 C LIG 1 -4.430 -0.929 0.900 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -4.131 0.391 0.521 0.00 0.00 -0.030 A ATOM 16 C LIG 1 -2.756 0.717 0.580 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 -5.237 1.494 0.063 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -4.923 2.360 -1.190 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -5.202 3.583 -0.459 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.150 2.864 0.797 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.702 1.003 0.074 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -7.058 0.097 -1.058 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.290 0.038 -1.660 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -9.460 0.814 -1.346 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -8.195 -0.901 -2.638 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -6.984 -1.406 -2.640 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.268 -0.773 -1.654 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 BRANCH 13 28 ATOM 28 N LIG 1 -3.800 -3.128 1.649 0.00 0.00 -0.316 N ATOM 29 H LIG 1 -4.380 -3.510 0.904 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.645 -4.006 1.921 0.00 0.00 +0.222 C BRANCH 30 31 ATOM 31 C LIG 1 -1.990 -4.526 0.699 0.00 0.00 +0.081 C ATOM 32 N LIG 1 -1.528 -4.993 -0.260 0.00 0.00 -0.195 NA ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 13 28 ENDBRANCH 6 11 BRANCH 3 33 ATOM 33 C LIG 1 2.300 3.529 -0.044 0.00 0.00 +0.418 C ATOM 34 F LIG 1 1.394 4.229 0.696 0.00 0.00 -0.166 F ATOM 35 F LIG 1 3.391 4.332 -0.160 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.760 3.436 -1.290 0.00 0.00 -0.166 F ENDBRANCH 3 33 BRANCH 1 37 ATOM 37 C LIG 1 5.612 0.089 1.698 0.00 0.00 +0.119 C BRANCH 37 41 ATOM 38 C LIG 1 6.566 -2.287 -2.559 0.00 0.00 +0.009 C ATOM 39 C LIG 1 7.139 -1.605 -1.320 0.00 0.00 +0.000 C ATOM 40 C LIG 1 6.009 -1.036 -0.433 0.00 0.00 +0.088 C ATOM 41 N LIG 1 6.442 0.036 0.487 0.00 0.00 -0.298 NA ATOM 42 C LIG 1 7.863 -0.067 0.815 0.00 0.00 +0.085 C ATOM 43 C LIG 1 8.715 0.151 -0.440 0.00 0.00 +0.016 C ATOM 44 C LIG 1 8.130 -0.505 -1.694 0.00 0.00 +0.006 C ENDBRANCH 37 41 ENDBRANCH 1 37 TORSDOF 10