REMARK Name = BDB026943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.720 -1.913 -0.184 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.639 -3.105 -0.453 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.386 -3.916 -1.577 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.209 -5.002 -1.885 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.305 -5.294 -1.080 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.581 -4.497 0.028 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.759 -3.410 0.336 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.317 -1.685 1.296 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -1.138 -1.750 2.214 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.594 0.222 0.075 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.468 -0.315 1.299 0.00 0.00 +0.126 A ATOM 12 N LIG 1 3.238 -0.812 1.722 0.00 0.00 -0.238 N ATOM 13 C LIG 1 2.098 -0.811 0.899 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.077 -1.395 1.630 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.671 -1.658 2.884 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.238 -0.235 -0.401 0.00 0.00 +0.029 A ATOM 17 N LIG 1 2.961 -1.336 2.939 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.429 0.252 -0.798 0.00 0.00 +0.016 A BRANCH 10 21 ATOM 19 N LIG 1 5.892 1.903 -1.053 0.00 0.00 -0.312 N ATOM 20 H LIG 1 5.017 2.403 -1.130 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 5.934 0.734 -0.331 0.00 0.00 +0.246 C ATOM 22 O LIG 1 6.967 0.164 -0.002 0.00 0.00 -0.270 OA BRANCH 19 24 ATOM 23 C LIG 1 7.625 3.477 -0.313 0.00 0.00 +0.024 C ATOM 24 C LIG 1 7.104 2.598 -1.435 0.00 0.00 +0.101 C ENDBRANCH 19 24 ENDBRANCH 10 21 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -1.197 -0.670 -0.849 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -1.500 -0.927 -1.790 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.316 -0.008 -0.166 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -2.750 1.235 -0.959 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -3.908 1.945 -0.297 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -3.675 2.911 0.691 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.745 3.555 1.317 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.060 3.237 0.963 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.298 2.269 -0.018 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.227 1.625 -0.643 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.158 3.899 1.603 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.049 4.436 2.119 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10