REMARK Name = BDB024403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.371 0.875 -0.564 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -1.430 1.561 0.184 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -1.675 2.457 0.584 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -2.153 -0.173 -1.168 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.096 1.234 0.415 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.552 2.155 1.158 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 1.860 1.922 1.440 0.00 0.00 +0.121 A ATOM 8 C LIG 1 2.574 0.804 1.021 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.872 -0.129 0.258 0.00 0.00 +0.013 A ATOM 10 C LIG 1 0.524 0.085 -0.049 0.00 0.00 +0.044 A BRANCH 8 11 ATOM 11 C LIG 1 3.974 0.634 1.360 0.00 0.00 +0.021 A ATOM 12 C LIG 1 4.642 -0.572 1.413 0.00 0.00 +0.117 A ATOM 13 N LIG 1 5.932 -0.290 1.768 0.00 0.00 -0.262 N ATOM 14 N LIG 1 6.148 1.024 1.981 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 4.961 1.581 1.725 0.00 0.00 +0.143 A BRANCH 13 16 ATOM 16 C LIG 1 7.003 -1.242 1.983 0.00 0.00 +0.239 C BRANCH 16 17 ATOM 17 C LIG 1 7.381 -1.950 0.703 0.00 0.00 +0.237 C ATOM 18 N LIG 1 8.229 -1.307 -0.173 0.00 0.00 -0.300 N ATOM 19 C LIG 1 8.757 0.046 -0.058 0.00 0.00 +0.108 C ATOM 20 C LIG 1 9.794 0.137 -1.170 0.00 0.00 +0.020 C ATOM 21 C LIG 1 9.218 -0.777 -2.244 0.00 0.00 +0.020 C ATOM 22 C LIG 1 8.615 -1.917 -1.435 0.00 0.00 +0.108 C ATOM 23 O LIG 1 6.943 -3.079 0.465 0.00 0.00 -0.274 OA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 -3.777 1.560 -0.513 0.00 0.00 +0.171 C BRANCH 24 25 ATOM 25 C LIG 1 -3.720 2.965 -1.107 0.00 0.00 -0.022 A ATOM 26 C LIG 1 -4.183 4.065 -0.367 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -4.135 5.351 -0.908 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.634 5.552 -2.192 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.183 4.468 -2.942 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.229 3.181 -2.406 0.00 0.00 +0.005 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 N LIG 1 -4.793 0.758 -1.225 0.00 0.00 -0.301 NA ATOM 32 H LIG 1 -5.383 1.393 -1.763 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -5.666 -0.054 -0.368 0.00 0.00 +0.089 C BRANCH 33 35 ATOM 34 C LIG 1 -4.303 -1.085 1.565 0.00 0.00 +0.014 C ATOM 35 C LIG 1 -5.048 -1.337 0.249 0.00 0.00 +0.030 C BRANCH 35 36 ATOM 36 C LIG 1 -6.131 -2.391 0.476 0.00 0.00 -0.043 A ATOM 37 C LIG 1 -7.206 -2.169 1.351 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -8.184 -3.150 1.539 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -8.102 -4.365 0.855 0.00 0.00 +0.052 A ATOM 40 C LIG 1 -7.037 -4.596 -0.020 0.00 0.00 +0.019 A ATOM 41 C LIG 1 -6.059 -3.615 -0.207 0.00 0.00 +0.005 A BRANCH 39 42 ATOM 42 C LIG 1 -9.106 -5.370 1.049 0.00 0.00 +0.099 C ATOM 43 N LIG 1 -9.921 -6.181 1.208 0.00 0.00 -0.191 NA ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 11