REMARK Name = BDB017356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.755 -0.156 0.384 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.985 -0.475 -0.739 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.605 -0.679 -0.625 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.033 -0.592 0.617 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.736 -0.234 1.729 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.118 -0.031 1.618 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.921 0.487 2.355 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 5.081 0.332 1.152 0.00 0.00 +0.251 C ATOM 9 N LIG 1 4.138 0.032 0.189 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.466 -0.074 -0.763 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.447 0.473 0.623 0.00 0.00 +0.074 A ATOM 12 C LIG 1 7.263 -0.655 0.477 0.00 0.00 +0.054 A ATOM 13 CL LIG 1 6.713 -2.249 0.848 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 8.570 -0.512 -0.001 0.00 0.00 +0.021 A ATOM 15 C LIG 1 9.063 0.751 -0.329 0.00 0.00 +0.003 A ATOM 16 C LIG 1 8.249 1.875 -0.184 0.00 0.00 +0.021 A ATOM 17 C LIG 1 6.941 1.740 0.293 0.00 0.00 +0.054 A ATOM 18 CL LIG 1 5.981 3.170 0.422 0.00 0.00 -0.083 Cl ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.434 -0.735 0.749 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -1.706 -0.791 1.730 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.290 -1.575 -0.015 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -3.623 -1.209 -0.309 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -4.408 -2.203 -0.915 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -5.747 -1.966 -1.183 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -6.272 -2.724 -1.591 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.400 -0.817 -0.883 0.00 0.00 +0.254 A ATOM 27 C LIG 1 -5.581 0.283 -0.295 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -6.337 1.561 -0.033 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -5.554 2.566 0.807 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -4.116 2.650 0.326 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.425 1.287 0.430 0.00 0.00 +0.036 C ATOM 32 O LIG 1 -7.600 -0.683 -1.102 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -3.986 -3.442 -1.253 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -2.713 -3.748 -0.958 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.260 0.119 -0.051 0.00 0.00 -0.027 A ATOM 36 C LIG 1 -1.849 -2.871 -0.335 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4