REMARK Name = BDB005272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.928 0.077 -0.578 0.00 0.00 +0.161 C ATOM 2 N LIG 1 -2.618 1.231 0.109 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -1.723 1.940 0.972 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.941 2.892 1.704 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -0.441 1.312 0.777 0.00 0.00 +0.150 A ATOM 6 N LIG 1 0.827 1.484 1.208 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 1.542 0.593 0.526 0.00 0.00 +0.149 A ATOM 8 N LIG 1 0.715 -0.205 -0.282 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -0.544 0.282 -0.102 0.00 0.00 +0.077 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -3.961 1.568 -0.093 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.628 2.449 0.680 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.968 2.763 0.489 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.587 3.713 1.403 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.743 2.179 -0.514 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.936 2.415 -0.683 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -6.005 1.227 -1.399 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.853 0.499 -2.710 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.707 0.964 -1.187 0.00 0.00 +0.050 A ENDBRANCH 2 10 BRANCH 1 22 ATOM 19 C LIG 1 -3.612 -3.737 0.554 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -3.502 -3.407 -0.793 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -2.954 -2.174 -1.151 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -2.516 -1.267 -0.167 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -2.644 -1.630 1.190 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -3.190 -2.863 1.551 0.00 0.00 +0.042 A BRANCH 19 26 ATOM 25 C LIG 1 -4.604 -6.004 1.208 0.00 0.00 +0.135 C ATOM 26 N LIG 1 -4.152 -4.965 0.911 0.00 0.00 -0.350 NA ENDBRANCH 19 26 ENDBRANCH 1 22 BRANCH 7 27 ATOM 27 C LIG 1 2.987 0.469 0.657 0.00 0.00 +0.097 A ATOM 28 C LIG 1 3.896 0.660 -0.363 0.00 0.00 +0.230 A ATOM 29 N LIG 1 5.231 0.529 -0.217 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.705 0.229 1.003 0.00 0.00 +0.220 A ATOM 31 N LIG 1 4.896 0.057 2.061 0.00 0.00 -0.222 NA ATOM 32 C LIG 1 3.566 0.196 1.871 0.00 0.00 +0.131 A BRANCH 30 33 ATOM 33 N LIG 1 7.081 0.058 1.169 0.00 0.00 -0.306 N ATOM 34 C LIG 1 7.894 0.720 0.161 0.00 0.00 +0.132 C ATOM 35 C LIG 1 7.536 0.164 2.547 0.00 0.00 +0.132 C ENDBRANCH 30 33 BRANCH 28 36 ATOM 36 O LIG 1 3.396 0.979 -1.616 0.00 0.00 -0.479 OA ATOM 37 C LIG 1 4.410 1.298 -2.564 0.00 0.00 +0.279 C ENDBRANCH 28 36 ENDBRANCH 7 27 BRANCH 8 38 ATOM 38 C LIG 1 1.145 -1.336 -1.098 0.00 0.00 +0.083 C ATOM 39 C LIG 1 0.839 -2.676 -0.432 0.00 0.00 +0.030 C ATOM 40 C LIG 1 0.625 -1.272 -2.533 0.00 0.00 +0.030 C ENDBRANCH 8 38 TORSDOF 7