REMARK Name = BDB018219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.355 -0.081 1.249 0.00 0.00 -0.264 N ATOM 2 N LIG 1 0.272 -1.386 1.590 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.850 -1.800 0.995 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -1.500 -0.772 0.277 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.698 0.332 0.471 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.712 -0.834 -0.488 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.517 0.234 -0.660 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -4.695 0.179 -1.392 0.00 0.00 -0.318 N ATOM 9 C LIG 1 -5.497 1.386 -1.508 0.00 0.00 +0.152 C ATOM 10 C LIG 1 -5.136 -0.991 -2.003 0.00 0.00 +0.251 A ATOM 11 O LIG 1 -6.170 -1.105 -2.654 0.00 0.00 -0.268 OA ATOM 12 C LIG 1 -4.255 -2.173 -1.832 0.00 0.00 +0.071 A ATOM 13 C LIG 1 -3.124 -2.081 -1.120 0.00 0.00 +0.015 A ENDBRANCH 4 6 BRANCH 1 14 ATOM 14 C LIG 1 1.466 0.760 1.709 0.00 0.00 +0.134 C ATOM 15 C LIG 1 2.082 0.297 3.034 0.00 0.00 +0.038 C BRANCH 14 19 ATOM 16 C LIG 1 4.853 -1.265 -1.470 0.00 0.00 +0.044 C ATOM 17 C LIG 1 4.142 -0.061 -0.925 0.00 0.00 -0.050 A ATOM 18 C LIG 1 3.175 -0.206 0.079 0.00 0.00 +0.009 A ATOM 19 C LIG 1 2.517 0.912 0.620 0.00 0.00 -0.023 A ATOM 20 C LIG 1 2.860 2.188 0.147 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.834 2.340 -0.840 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.475 1.222 -1.371 0.00 0.00 +0.003 A ENDBRANCH 14 19 ENDBRANCH 1 14 TORSDOF 3