REMARK Name = BDB041148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.913 -0.059 0.294 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -1.948 0.142 -0.620 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.392 1.372 -0.748 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.837 2.416 0.076 0.00 0.00 +0.179 A ATOM 5 C LIG 1 -2.861 2.104 0.958 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -3.416 0.887 1.094 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.347 -2.191 1.499 0.00 0.00 +0.229 A ATOM 8 C LIG 1 -3.486 -1.390 0.375 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -4.210 -1.955 -0.677 0.00 0.00 +0.062 A ATOM 10 N LIG 1 -4.731 -3.208 -0.587 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 -4.537 -3.876 0.555 0.00 0.00 +0.225 A ATOM 12 N LIG 1 -3.862 -3.433 1.617 0.00 0.00 -0.201 NA BRANCH 9 13 ATOM 13 C LIG 1 -4.448 -1.210 -1.981 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -5.784 -1.307 -2.685 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -5.391 -0.028 -2.012 0.00 0.00 +0.010 C ENDBRANCH 9 13 BRANCH 7 17 ATOM 16 C LIG 1 -2.580 -2.537 3.697 0.00 0.00 +0.279 C ATOM 17 O LIG 1 -2.587 -1.698 2.547 0.00 0.00 -0.479 OA ENDBRANCH 7 17 ENDBRANCH 1 8 BRANCH 3 18 ATOM 18 N LIG 1 -0.411 1.494 -1.728 0.00 0.00 -0.311 N ATOM 19 C LIG 1 0.350 2.718 -1.928 0.00 0.00 +0.131 C BRANCH 18 20 ATOM 20 C LIG 1 0.129 0.276 -2.342 0.00 0.00 +0.141 C BRANCH 20 21 ATOM 21 C LIG 1 1.391 -0.202 -1.650 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.649 0.012 -2.233 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.812 -0.430 -1.597 0.00 0.00 +0.012 A ATOM 24 C LIG 1 3.745 -1.106 -0.372 0.00 0.00 +0.017 A ATOM 25 C LIG 1 2.494 -1.296 0.225 0.00 0.00 +0.012 A ATOM 26 C LIG 1 1.329 -0.855 -0.411 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 4.984 -1.570 0.257 0.00 0.00 +0.141 A ATOM 28 N LIG 1 5.213 -2.840 0.744 0.00 0.00 -0.333 N ATOM 29 C LIG 1 4.318 -3.973 0.682 0.00 0.00 +0.150 C ATOM 30 C LIG 1 6.489 -2.885 1.242 0.00 0.00 +0.119 A ATOM 31 C LIG 1 7.028 -1.633 1.017 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.077 -0.840 0.390 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 8.400 -1.129 1.354 0.00 0.00 +0.436 C ATOM 34 F LIG 1 8.375 -0.135 2.281 0.00 0.00 -0.164 F ATOM 35 F LIG 1 9.060 -0.646 0.267 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.187 -2.115 1.871 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 3 18 BRANCH 4 37 ATOM 37 O LIG 1 -1.317 3.673 -0.047 0.00 0.00 -0.484 OA BRANCH 37 38 ATOM 38 C LIG 1 -1.315 4.534 1.100 0.00 0.00 +0.168 C ATOM 39 C LIG 1 0.051 5.216 1.140 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -2.419 5.576 0.945 0.00 0.00 +0.051 C ENDBRANCH 37 38 ENDBRANCH 4 37 TORSDOF 10