REMARK Name = BDB022211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.706 -4.657 -1.287 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -1.652 -3.212 -1.128 0.00 0.00 -0.311 N ATOM 3 C LIG 1 -0.508 -2.595 -0.541 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -0.461 -1.193 -0.407 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.720 -0.601 0.092 0.00 0.00 +0.035 A ATOM 6 C LIG 1 1.821 -1.359 0.508 0.00 0.00 +0.032 A ATOM 7 C LIG 1 1.736 -2.747 0.403 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.634 -0.369 -0.813 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.654 -1.003 -1.408 0.00 0.00 +0.093 A ATOM 10 C LIG 1 0.592 -3.358 -0.117 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -2.711 -2.464 -1.611 0.00 0.00 +0.253 A ATOM 12 O LIG 1 -3.699 -2.932 -2.175 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 3.022 -0.784 0.967 0.00 0.00 -0.313 N ATOM 14 H LIG 1 3.534 -1.392 1.604 0.00 0.00 +0.152 HD BRANCH 13 15 ATOM 15 C LIG 1 3.618 0.474 0.716 0.00 0.00 +0.053 A ATOM 16 C LIG 1 4.449 1.091 1.670 0.00 0.00 +0.110 A ATOM 17 C LIG 1 4.966 2.346 1.377 0.00 0.00 +0.148 A ATOM 18 CL LIG 1 5.999 3.215 2.448 0.00 0.00 -0.061 Cl ATOM 19 N LIG 1 4.724 3.023 0.232 0.00 0.00 -0.242 NA ATOM 20 C LIG 1 3.925 2.421 -0.667 0.00 0.00 +0.114 A ATOM 21 C LIG 1 3.357 1.173 -0.470 0.00 0.00 +0.044 A BRANCH 16 22 ATOM 22 C LIG 1 4.755 0.446 2.907 0.00 0.00 +0.104 C ATOM 23 N LIG 1 4.985 -0.134 3.886 0.00 0.00 -0.191 NA ENDBRANCH 16 22 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 8 24 ATOM 24 N LIG 1 -1.606 0.998 -0.551 0.00 0.00 -0.338 N ATOM 25 H LIG 1 -1.073 1.234 0.285 0.00 0.00 +0.146 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.694 1.956 -0.788 0.00 0.00 +0.098 C ATOM 27 C LIG 1 -2.188 3.384 -0.597 0.00 0.00 +0.182 C ATOM 28 O LIG 1 -2.262 3.665 0.812 0.00 0.00 -0.378 OA ATOM 29 C LIG 1 -3.143 2.707 1.416 0.00 0.00 +0.162 C ATOM 30 C LIG 1 -3.743 1.874 0.300 0.00 0.00 +0.052 C ENDBRANCH 24 26 ENDBRANCH 8 24 TORSDOF 5