REMARK Name = BDB041083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.491 -2.603 -1.776 0.00 0.00 +0.178 A ATOM 2 C LIG 1 -1.387 -1.457 -0.984 0.00 0.00 +0.165 A ATOM 3 N LIG 1 -2.444 -0.945 -0.324 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.621 -1.584 -0.450 0.00 0.00 +0.169 A ATOM 5 N LIG 1 -3.818 -2.709 -1.160 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -2.741 -3.186 -1.815 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.751 -1.053 0.288 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -5.283 -1.703 1.402 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -6.349 -1.195 2.077 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -6.864 -0.041 1.639 0.00 0.00 +0.225 A ATOM 11 N LIG 1 -6.430 0.662 0.592 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 -5.376 0.134 -0.064 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 -4.710 -3.012 1.919 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -3.356 -3.031 2.593 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -4.592 -3.256 3.407 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 -4.895 0.804 -1.176 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 -5.593 2.008 -1.471 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 -0.535 -4.083 -3.367 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -0.361 -3.058 -2.396 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 -0.155 -0.774 -0.945 0.00 0.00 -0.322 N ATOM 21 H LIG 1 0.604 -1.450 -0.917 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.050 0.249 0.081 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 C LIG 1 1.365 0.780 0.100 0.00 0.00 -0.030 A ATOM 24 C LIG 1 1.812 1.643 -0.905 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.124 2.124 -0.898 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.027 1.755 0.117 0.00 0.00 +0.066 A ATOM 27 C LIG 1 3.585 0.872 1.106 0.00 0.00 +0.028 A ATOM 28 C LIG 1 2.267 0.391 1.098 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 N LIG 1 5.359 2.282 0.075 0.00 0.00 -0.236 N ATOM 30 C LIG 1 6.394 2.249 1.008 0.00 0.00 +0.042 A ATOM 31 C LIG 1 6.329 1.722 2.394 0.00 0.00 +0.066 C ATOM 32 C LIG 1 7.484 2.844 0.402 0.00 0.00 +0.057 A ATOM 33 C LIG 1 7.045 3.267 -0.867 0.00 0.00 +0.166 A ATOM 34 N LIG 1 5.753 2.953 -1.046 0.00 0.00 -0.162 NA BRANCH 33 35 ATOM 35 C LIG 1 7.856 3.994 -1.906 0.00 0.00 +0.436 C ATOM 36 F LIG 1 7.864 3.356 -3.106 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.404 5.257 -2.128 0.00 0.00 -0.164 F ATOM 38 F LIG 1 9.161 4.117 -1.531 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 9