REMARK Name = BDB024123 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.484 -1.281 0.013 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.457 -2.764 0.353 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.206 -3.211 1.661 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.191 -4.575 1.955 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.432 -5.510 0.950 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.692 -5.082 -0.350 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.706 -3.718 -0.648 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.856 -0.680 -0.410 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.681 -1.200 -1.255 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.177 -0.584 0.512 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.124 -0.057 1.623 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.738 0.857 -0.016 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.734 1.042 0.934 0.00 0.00 +0.123 A ATOM 14 N LIG 1 2.470 0.553 0.842 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 2.142 -0.153 -0.247 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.061 -0.387 -1.264 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.360 0.120 -1.145 0.00 0.00 +0.015 A BRANCH 12 22 ATOM 18 C LIG 1 9.804 3.294 0.958 0.00 0.00 +0.067 C ATOM 19 C LIG 1 8.512 2.604 0.659 0.00 0.00 +0.061 A ATOM 20 N LIG 1 7.388 3.111 1.201 0.00 0.00 -0.154 NA ATOM 21 N LIG 1 6.175 2.512 0.958 0.00 0.00 -0.149 NA ATOM 22 C LIG 1 6.086 1.414 0.174 0.00 0.00 +0.095 A ATOM 23 C LIG 1 7.237 0.874 -0.389 0.00 0.00 +0.032 A ATOM 24 C LIG 1 8.468 1.478 -0.144 0.00 0.00 +0.027 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.641 -0.554 0.570 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.507 -0.461 1.579 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.945 -1.133 0.252 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -5.098 -0.192 0.682 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.442 -0.929 0.601 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.118 1.101 -0.124 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -4.687 2.296 0.474 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.679 3.495 -0.243 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.101 3.517 -1.574 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.526 2.334 -2.184 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.530 1.135 -1.466 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.093 4.745 -2.314 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.092 5.735 -2.920 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9