REMARK Name = BDB006617 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.528 2.261 -1.166 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.545 1.307 -0.906 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.893 1.014 -1.063 0.00 0.00 +0.146 C ATOM 4 N LIG 1 -1.007 -0.288 -0.326 0.00 0.00 -0.253 N ATOM 5 C LIG 1 0.247 -0.664 0.250 0.00 0.00 +0.270 C ATOM 6 O LIG 1 0.492 -1.575 1.022 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 1.170 0.313 -0.214 0.00 0.00 +0.135 A ATOM 8 N LIG 1 2.495 0.610 -0.141 0.00 0.00 -0.220 N ATOM 9 N LIG 1 2.706 1.873 -0.643 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.204 -1.010 -0.258 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.332 -0.602 -0.874 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -4.524 -1.308 -0.817 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -5.685 -0.763 -1.506 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -4.654 -2.503 -0.117 0.00 0.00 +0.254 A ATOM 15 O LIG 1 -5.695 -3.152 -0.042 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -3.417 -2.985 0.567 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -3.524 -4.272 1.321 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -2.287 -2.262 0.479 0.00 0.00 +0.033 A ENDBRANCH 4 10 BRANCH 3 19 ATOM 19 C LIG 1 -1.633 2.180 -0.432 0.00 0.00 -0.022 A ATOM 20 C LIG 1 -2.241 3.139 -1.264 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.928 4.227 -0.719 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.015 4.369 0.663 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.861 5.709 1.332 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.422 3.433 1.505 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.734 2.345 0.962 0.00 0.00 +0.007 A ENDBRANCH 3 19 BRANCH 8 26 ATOM 26 C LIG 1 3.585 -0.130 0.343 0.00 0.00 +0.146 A ATOM 27 C LIG 1 3.663 -1.506 0.338 0.00 0.00 +0.247 A ATOM 28 N LIG 1 4.720 -2.186 0.830 0.00 0.00 -0.158 NA ATOM 29 C LIG 1 5.726 -1.449 1.325 0.00 0.00 +0.321 A ATOM 30 N LIG 1 5.774 -0.112 1.335 0.00 0.00 -0.201 NA ATOM 31 C LIG 1 4.699 0.524 0.827 0.00 0.00 +0.149 A BRANCH 27 32 ATOM 32 O LIG 1 2.725 -2.220 -0.377 0.00 0.00 -0.478 OA ATOM 33 C LIG 1 2.715 -3.610 -0.061 0.00 0.00 +0.279 C ENDBRANCH 27 32 BRANCH 29 34 ATOM 34 O LIG 1 6.835 -2.067 1.858 0.00 0.00 -0.466 OA ATOM 35 C LIG 1 6.747 -3.485 1.840 0.00 0.00 +0.280 C ENDBRANCH 29 34 ENDBRANCH 8 26 BRANCH 1 37 ATOM 36 C LIG 1 1.328 4.745 -0.902 0.00 0.00 +0.010 C ATOM 37 C LIG 1 1.417 3.572 -1.866 0.00 0.00 +0.054 C ENDBRANCH 1 37 TORSDOF 6