REMARK Name = BDB038635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.910 -0.656 0.413 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.444 -1.462 1.360 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.736 -1.860 1.254 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.518 -1.464 0.175 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.989 -0.622 -0.806 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.654 -0.226 -0.677 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.801 1.255 0.799 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.629 1.372 0.036 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.518 0.654 0.439 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.185 0.596 -0.175 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.571 -0.272 0.601 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.178 -0.798 1.732 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.111 1.235 -1.168 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.519 -0.164 1.564 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.659 -0.289 2.336 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.800 0.426 1.948 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.054 2.013 0.402 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 5.368 1.152 -1.859 0.00 0.00 +0.105 C ATOM 19 N LIG 1 5.968 1.347 -0.540 0.00 0.00 -0.298 NA BRANCH 19 20 ATOM 20 C LIG 1 6.549 0.103 0.008 0.00 0.00 +0.118 C BRANCH 20 21 ATOM 21 C LIG 1 7.779 -0.490 -0.748 0.00 0.00 +0.073 C ATOM 22 C LIG 1 8.390 -1.617 0.096 0.00 0.00 +0.042 C ATOM 23 C LIG 1 8.844 0.571 -1.042 0.00 0.00 +0.042 C BRANCH 21 24 ATOM 24 O LIG 1 7.354 -1.089 -1.979 0.00 0.00 -0.388 OA ATOM 25 H LIG 1 8.149 -1.346 -2.476 0.00 0.00 +0.210 HD ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.816 -0.153 -1.936 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -6.009 0.592 -1.754 0.00 0.00 +0.030 A ATOM 28 C LIG 1 -6.781 0.961 -2.867 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.362 0.626 -4.147 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -7.101 0.994 -5.201 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -5.187 -0.082 -4.351 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -4.420 -0.472 -3.252 0.00 0.00 +0.012 A BRANCH 27 33 ATOM 33 C LIG 1 -6.488 0.992 -0.433 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -5.901 1.913 0.400 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.738 2.724 0.159 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -6.662 1.948 1.528 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -7.671 1.120 1.403 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -7.571 0.530 0.165 0.00 0.00 -0.129 NA ENDBRANCH 27 33 ENDBRANCH 5 26 BRANCH 3 39 ATOM 39 C LIG 1 -4.306 -2.748 2.334 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -5.506 -2.294 3.135 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.157 -2.352 3.786 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 9