REMARK Name = BDB038668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.164 2.473 -0.891 0.00 0.00 +0.217 A ATOM 2 N LIG 1 0.024 1.854 -0.791 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 0.138 0.797 0.031 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -0.951 0.358 0.780 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -2.206 0.975 0.648 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -2.296 2.073 -0.208 0.00 0.00 +0.075 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.373 0.121 0.100 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.525 0.500 -0.588 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.764 1.446 -1.317 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.545 -0.513 -0.282 0.00 0.00 +0.042 A ATOM 11 C LIG 1 2.984 -1.465 0.562 0.00 0.00 -0.018 A ATOM 12 C LIG 1 3.735 -2.537 1.005 0.00 0.00 +0.006 A ATOM 13 C LIG 1 5.066 -2.630 0.580 0.00 0.00 +0.006 A ATOM 14 C LIG 1 5.635 -1.663 -0.283 0.00 0.00 -0.021 A ATOM 15 C LIG 1 4.857 -0.581 -0.717 0.00 0.00 +0.019 A ATOM 16 C LIG 1 1.563 -1.113 0.845 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 7.074 -1.792 -0.706 0.00 0.00 +0.191 C BRANCH 17 18 ATOM 18 O LIG 1 7.937 -1.528 0.391 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 7.463 -0.937 1.001 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 20 ATOM 20 C LIG 1 -3.392 0.469 1.374 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -3.801 -0.890 1.322 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -4.913 -1.320 2.063 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -5.631 -0.412 2.829 0.00 0.00 +0.124 A ATOM 24 F LIG 1 -6.696 -0.830 3.524 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -5.262 0.924 2.883 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -4.147 1.360 2.164 0.00 0.00 +0.012 A BRANCH 21 27 ATOM 27 C LIG 1 -3.086 -1.889 0.531 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -3.110 -2.009 -0.836 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -3.878 -1.239 -1.777 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -2.249 -3.016 -1.147 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -1.729 -3.504 -0.046 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -2.267 -2.807 1.011 0.00 0.00 -0.129 NA ENDBRANCH 21 27 ENDBRANCH 5 20 BRANCH 1 33 ATOM 33 O LIG 1 -1.307 3.563 -1.726 0.00 0.00 -0.477 OA BRANCH 33 35 ATOM 34 C LIG 1 0.739 4.871 -1.550 0.00 0.00 +0.048 C ATOM 35 C LIG 1 -0.110 3.950 -2.410 0.00 0.00 +0.227 C ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 7