REMARK Name = BDB011434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.270 -0.482 1.251 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.472 0.458 0.596 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.173 0.114 0.778 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.165 0.560 0.332 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.033 -0.343 1.178 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.254 -1.275 1.920 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.589 -2.164 2.682 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.115 -0.942 1.639 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.417 -1.338 1.950 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.426 -0.228 1.230 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -4.090 0.832 0.728 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.470 0.957 0.783 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -6.081 2.149 0.217 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.285 -0.002 1.378 0.00 0.00 +0.254 A ATOM 15 O LIG 1 -7.507 0.086 1.463 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -5.576 -1.198 1.926 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -6.429 -2.263 2.539 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -4.237 -1.271 1.839 0.00 0.00 +0.033 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.406 0.334 -1.159 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -1.817 1.398 -1.981 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.043 1.204 -3.346 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -1.865 -0.057 -3.907 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.140 -0.293 -5.588 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.466 -1.128 -3.113 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.240 -0.934 -1.748 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 6.444 -0.544 1.198 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.828 -0.669 0.013 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.479 -0.655 0.047 0.00 0.00 +0.230 A ATOM 29 C LIG 1 3.732 -0.507 1.207 0.00 0.00 +0.078 A ATOM 30 C LIG 1 4.486 -0.398 2.357 0.00 0.00 +0.131 A ATOM 31 N LIG 1 5.834 -0.407 2.382 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 8.438 -0.741 -0.004 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.820 -0.544 1.260 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.786 -0.808 -1.142 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.625 -0.971 -2.280 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 2.018 1.679 -0.054 0.00 0.00 +0.088 C ATOM 37 C LIG 1 1.907 1.900 -1.542 0.00 0.00 +0.027 C ATOM 38 C LIG 1 1.235 2.846 -0.589 0.00 0.00 +0.027 C ENDBRANCH 2 36 TORSDOF 6