REMARK Name = BDB001392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.184 -0.008 -1.190 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.632 -1.096 -0.658 0.00 0.00 +0.192 C ATOM 3 C LIG 1 1.849 -1.056 -1.555 0.00 0.00 +0.019 A ATOM 4 C LIG 1 1.678 -0.072 -2.528 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.626 0.192 -3.499 0.00 0.00 +0.013 A ATOM 6 C LIG 1 3.793 -0.573 -3.479 0.00 0.00 +0.001 A ATOM 7 C LIG 1 3.983 -1.569 -2.502 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.008 -1.818 -1.530 0.00 0.00 +0.009 A ATOM 9 C LIG 1 0.381 0.577 -2.307 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.070 1.472 -2.996 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -0.105 -2.445 -0.729 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.315 -3.106 -1.956 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -1.004 -4.320 -2.019 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -1.503 -4.899 -0.857 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -1.316 -4.265 0.367 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -0.627 -3.051 0.431 0.00 0.00 +0.008 A ENDBRANCH 2 11 BRANCH 1 17 ATOM 17 C LIG 1 -1.516 0.327 -0.656 0.00 0.00 +0.192 C BRANCH 17 18 ATOM 18 C LIG 1 -2.684 -0.208 -1.506 0.00 0.00 +0.328 C ATOM 19 O LIG 1 -3.862 -0.108 -1.174 0.00 0.00 -0.249 OA BRANCH 18 21 ATOM 20 C LIG 1 -3.329 -1.284 -3.487 0.00 0.00 +0.280 C ATOM 21 O LIG 1 -2.273 -0.784 -2.669 0.00 0.00 -0.467 OA ENDBRANCH 18 21 ENDBRANCH 17 18 BRANCH 17 22 ATOM 22 C LIG 1 -1.702 1.848 -0.435 0.00 0.00 +0.069 C BRANCH 22 23 ATOM 23 C LIG 1 -2.096 2.192 0.988 0.00 0.00 -0.045 A ATOM 24 C LIG 1 -3.386 1.915 1.462 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -3.740 2.214 2.780 0.00 0.00 +0.045 A ATOM 26 C LIG 1 -2.802 2.797 3.625 0.00 0.00 +0.117 A ATOM 27 C LIG 1 -1.522 3.088 3.172 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -1.170 2.790 1.855 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 -3.104 3.103 4.919 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -4.033 2.869 5.080 0.00 0.00 +0.292 HD ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 O LIG 1 0.958 -0.815 0.709 0.00 0.00 -0.344 OA BRANCH 31 32 ATOM 32 C LIG 1 1.731 0.352 0.974 0.00 0.00 +0.204 C BRANCH 32 33 ATOM 33 C LIG 1 1.813 0.549 2.486 0.00 0.00 +0.260 C BRANCH 33 34 ATOM 34 O LIG 1 2.439 1.797 2.817 0.00 0.00 -0.463 OA BRANCH 34 35 ATOM 35 C LIG 1 3.800 1.796 2.781 0.00 0.00 +0.304 C ATOM 36 O LIG 1 4.500 0.847 2.461 0.00 0.00 -0.251 OA ATOM 37 C LIG 1 4.324 3.141 3.183 0.00 0.00 +0.136 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 12