REMARK Name = BDB024258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.292 -0.600 0.073 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.420 -2.053 0.509 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.115 -2.461 1.818 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.246 -3.799 2.195 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.695 -4.744 1.275 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.020 -4.351 -0.021 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.889 -3.015 -0.401 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.122 -0.341 -0.222 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.013 -1.009 -0.971 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.952 0.025 0.561 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.902 0.763 1.546 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.174 0.635 -0.061 0.00 0.00 +0.056 A ATOM 13 C LIG 1 3.581 -0.225 -0.983 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.255 -0.532 -1.019 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.457 0.035 -0.097 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.942 0.906 0.862 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.309 1.204 0.877 0.00 0.00 +0.028 A BRANCH 12 21 ATOM 18 N LIG 1 7.744 1.072 -0.646 0.00 0.00 -0.284 N ATOM 19 C LIG 1 6.509 0.519 -1.015 0.00 0.00 +0.309 C ATOM 20 O LIG 1 6.336 -0.186 -1.996 0.00 0.00 -0.252 OA ATOM 21 N LIG 1 5.561 0.927 -0.052 0.00 0.00 -0.252 N ATOM 22 C LIG 1 6.183 1.810 0.912 0.00 0.00 +0.134 C ATOM 23 C LIG 1 7.675 1.632 0.679 0.00 0.00 +0.128 C BRANCH 18 25 ATOM 24 C LIG 1 9.559 -0.604 -0.723 0.00 0.00 +0.024 C ATOM 25 C LIG 1 8.997 0.697 -1.273 0.00 0.00 +0.106 C ENDBRANCH 18 25 ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -3.451 0.171 0.572 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.287 0.351 1.565 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.610 1.454 -0.124 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.860 2.209 0.358 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -6.154 1.653 -0.193 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.734 0.508 0.370 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.923 -0.014 -0.146 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -8.545 0.604 -1.233 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -7.972 1.745 -1.802 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.782 2.265 -1.286 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -9.764 0.069 -1.765 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -10.751 -0.361 -2.198 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10