REMARK Name = BDB011435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.655 0.841 0.137 0.00 0.00 +0.053 A ATOM 2 N LIG 1 1.816 -0.210 -0.241 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.540 0.247 -0.262 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -0.827 -0.283 -0.471 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -1.607 1.010 -0.469 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.777 2.124 -0.158 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.043 3.307 -0.036 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.553 1.593 -0.047 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.866 1.991 0.211 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.972 1.075 -0.770 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.649 0.043 -1.311 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -4.999 0.102 -1.620 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -5.628 -1.070 -2.210 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.766 1.245 -1.409 0.00 0.00 +0.254 A ATOM 15 O LIG 1 -6.958 1.339 -1.691 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -5.045 2.399 -0.793 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -5.851 3.628 -0.519 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -3.736 2.285 -0.506 0.00 0.00 +0.033 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.283 -1.215 0.649 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -1.262 -0.811 1.998 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -1.687 -1.673 3.013 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.143 -2.948 2.693 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.664 -4.010 3.941 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.180 -3.367 1.366 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.756 -2.506 0.351 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.767 0.524 0.789 0.00 0.00 +0.318 A ATOM 27 N LIG 1 6.346 1.482 -0.054 0.00 0.00 -0.203 NA ATOM 28 C LIG 1 5.010 1.560 -0.240 0.00 0.00 +0.127 A ATOM 29 C LIG 1 4.093 0.723 0.365 0.00 0.00 +0.035 A ATOM 30 C LIG 1 4.649 -0.210 1.218 0.00 0.00 +0.127 A ATOM 31 N LIG 1 5.974 -0.339 1.440 0.00 0.00 -0.203 NA BRANCH 26 33 ATOM 32 C LIG 1 8.919 1.321 0.362 0.00 0.00 +0.280 C ATOM 33 O LIG 1 8.113 0.365 1.036 0.00 0.00 -0.466 OA ENDBRANCH 26 33 ENDBRANCH 1 29 BRANCH 2 34 ATOM 34 C LIG 1 2.322 -1.544 -0.659 0.00 0.00 +0.088 C ATOM 35 C LIG 1 1.522 -2.681 -1.232 0.00 0.00 +0.027 C ATOM 36 C LIG 1 2.058 -2.778 0.167 0.00 0.00 +0.027 C ENDBRANCH 2 34 TORSDOF 5