REMARK Name = BDB041132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.913 -0.025 -1.155 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.324 -0.918 -2.159 0.00 0.00 +0.131 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.925 0.701 -2.342 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -2.329 -0.016 -1.295 0.00 0.00 +0.167 A ATOM 5 N LIG 1 -3.068 -0.700 -0.393 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -4.405 -0.688 -0.540 0.00 0.00 +0.169 A ATOM 7 N LIG 1 -5.067 -0.032 -1.507 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -4.304 0.644 -2.388 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -5.191 -1.396 0.455 0.00 0.00 +0.102 A ATOM 10 C LIG 1 -5.194 -1.031 1.802 0.00 0.00 +0.062 A ATOM 11 N LIG 1 -5.928 -1.713 2.721 0.00 0.00 -0.239 NA ATOM 12 C LIG 1 -6.661 -2.742 2.285 0.00 0.00 +0.225 A ATOM 13 N LIG 1 -6.734 -3.173 1.026 0.00 0.00 -0.201 NA ATOM 14 C LIG 1 -5.992 -2.484 0.134 0.00 0.00 +0.229 A BRANCH 10 15 ATOM 15 C LIG 1 -4.377 0.141 2.323 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -4.751 1.556 1.944 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -4.967 1.083 3.349 0.00 0.00 +0.010 C ENDBRANCH 10 15 BRANCH 14 18 ATOM 18 O LIG 1 -5.988 -2.917 -1.182 0.00 0.00 -0.479 OA ATOM 19 C LIG 1 -6.911 -3.969 -1.444 0.00 0.00 +0.279 C ENDBRANCH 14 18 ENDBRANCH 6 9 BRANCH 3 21 ATOM 20 C LIG 1 -2.765 2.213 -4.174 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -2.124 1.395 -3.204 0.00 0.00 -0.490 OA ENDBRANCH 3 21 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 -0.497 -0.306 0.228 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 0.949 0.094 0.455 0.00 0.00 -0.030 A ATOM 24 C LIG 1 1.871 -0.821 0.981 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.197 -0.440 1.209 0.00 0.00 +0.012 A ATOM 26 C LIG 1 3.623 0.860 0.910 0.00 0.00 +0.017 A ATOM 27 C LIG 1 2.699 1.783 0.410 0.00 0.00 +0.012 A ATOM 28 C LIG 1 1.375 1.402 0.180 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 5.006 1.272 1.139 0.00 0.00 +0.142 A ATOM 30 N LIG 1 6.113 0.767 0.486 0.00 0.00 -0.327 N ATOM 31 C LIG 1 7.223 1.388 1.004 0.00 0.00 +0.120 A ATOM 32 C LIG 1 6.755 2.298 1.934 0.00 0.00 +0.162 A ATOM 33 N LIG 1 5.373 2.215 1.989 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 7.541 3.250 2.788 0.00 0.00 +0.436 C ATOM 35 F LIG 1 8.792 3.458 2.289 0.00 0.00 -0.164 F ATOM 36 F LIG 1 7.709 2.782 4.053 0.00 0.00 -0.164 F ATOM 37 F LIG 1 6.961 4.474 2.889 0.00 0.00 -0.164 F ENDBRANCH 32 34 BRANCH 30 38 ATOM 38 C LIG 1 6.129 -0.218 -0.593 0.00 0.00 +0.083 C ATOM 39 C LIG 1 6.786 0.334 -1.859 0.00 0.00 +0.030 C ATOM 40 C LIG 1 6.792 -1.521 -0.145 0.00 0.00 +0.030 C ENDBRANCH 30 38 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10