REMARK Name = BDB018824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.319 -0.748 -0.139 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.936 -0.722 -0.091 0.00 0.00 -0.269 N ATOM 3 C LIG 1 0.019 0.315 -0.050 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.315 -0.232 -0.067 0.00 0.00 -0.015 A ATOM 5 C LIG 1 2.468 0.565 -0.049 0.00 0.00 +0.005 A ATOM 6 C LIG 1 2.275 1.954 -0.012 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.991 2.508 0.025 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.263 -1.726 -0.197 0.00 0.00 +0.057 C ATOM 9 C LIG 1 -0.142 1.689 0.011 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -0.227 -2.007 -0.038 0.00 0.00 +0.118 C ATOM 11 O LIG 1 -2.915 -1.831 -0.052 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 3.828 0.015 -0.089 0.00 0.00 +0.071 A ATOM 13 N LIG 1 4.585 0.407 -1.144 0.00 0.00 -0.255 NA ATOM 14 C LIG 1 5.847 -0.069 -1.218 0.00 0.00 +0.111 A ATOM 15 C LIG 1 6.407 -0.919 -0.281 0.00 0.00 +0.020 A ATOM 16 C LIG 1 5.628 -1.302 0.803 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.322 -0.828 0.905 0.00 0.00 +0.028 A ENDBRANCH 5 12 BRANCH 1 19 ATOM 18 N LIG 1 -4.506 0.333 -0.812 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -3.119 0.550 -0.278 0.00 0.00 +0.170 C ATOM 20 C LIG 1 -3.363 1.189 1.090 0.00 0.00 +0.034 C ATOM 21 C LIG 1 -4.632 0.506 1.571 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -5.475 0.382 0.312 0.00 0.00 +0.117 C BRANCH 18 24 ATOM 23 N LIG 1 -5.001 -0.606 -3.070 0.00 0.00 -0.174 NA ATOM 24 C LIG 1 -4.771 -0.186 -2.017 0.00 0.00 +0.170 C ENDBRANCH 18 24 ENDBRANCH 1 19 TORSDOF 3