REMARK Name = BDB024228 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.514 -1.140 0.731 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.608 -2.659 0.705 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.282 -3.434 1.831 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.376 -4.826 1.789 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.796 -5.463 0.624 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.122 -4.709 -0.501 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.028 -3.317 -0.463 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.686 -0.441 -0.101 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.260 -0.569 -1.008 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.048 -0.698 1.039 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.374 -0.617 2.193 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.599 0.796 -0.677 0.00 0.00 +0.084 A ATOM 13 C LIG 1 3.700 0.513 -1.696 0.00 0.00 +0.140 A ATOM 14 N LIG 1 2.421 0.108 -1.484 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.010 -0.025 -0.206 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.841 0.238 0.874 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.154 0.654 0.637 0.00 0.00 +0.032 A BRANCH 12 21 ATOM 18 C LIG 1 9.370 2.317 -0.423 0.00 0.00 +0.047 C ATOM 19 C LIG 1 8.033 1.886 -0.885 0.00 0.00 -0.013 A ATOM 20 C LIG 1 6.935 1.540 -0.125 0.00 0.00 +0.118 A ATOM 21 N LIG 1 5.914 1.213 -0.993 0.00 0.00 -0.238 N ATOM 22 N LIG 1 6.314 1.337 -2.284 0.00 0.00 -0.175 NA ATOM 23 C LIG 1 7.581 1.742 -2.210 0.00 0.00 +0.138 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.402 -0.499 1.723 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.069 -0.754 2.654 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.829 -0.795 1.591 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.497 -0.377 0.254 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -6.003 -0.664 0.315 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.271 1.070 -0.163 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.015 1.367 -1.512 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.815 2.685 -1.930 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.874 3.730 -1.005 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.139 3.449 0.337 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.340 2.130 0.753 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -3.670 5.083 -1.432 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -3.509 6.178 -1.780 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9