REMARK Name = BDB034288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.778 0.382 0.893 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.489 -0.726 0.227 0.00 0.00 +0.120 C BRANCH 2 6 ATOM 3 C LIG 1 -6.042 -1.391 -0.514 0.00 0.00 +0.017 C ATOM 4 C LIG 1 -5.014 -0.724 -1.084 0.00 0.00 -0.032 C ATOM 5 C LIG 1 -3.818 -0.843 -0.486 0.00 0.00 +0.012 C ATOM 6 C LIG 1 -2.605 -0.320 -0.776 0.00 0.00 -0.030 C ATOM 7 C LIG 1 -2.316 0.479 -1.839 0.00 0.00 -0.046 C ATOM 8 C LIG 1 -0.873 0.934 -2.071 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -3.180 0.921 -2.775 0.00 0.00 +0.007 C ATOM 10 C LIG 1 -4.498 0.735 -2.953 0.00 0.00 -0.050 C ATOM 11 C LIG 1 -5.128 1.413 -4.160 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -5.305 -0.013 -2.183 0.00 0.00 +0.010 C ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 C LIG 1 -1.648 1.234 1.727 0.00 0.00 +0.120 C BRANCH 13 14 ATOM 14 C LIG 1 -2.342 0.588 2.912 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -1.650 0.295 4.096 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -2.306 -0.294 5.181 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.665 -0.586 5.100 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.372 -0.279 3.941 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.716 0.309 2.858 0.00 0.00 +0.005 A ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 1 20 ATOM 20 C LIG 1 0.436 -0.059 1.589 0.00 0.00 +0.086 C BRANCH 20 21 ATOM 21 C LIG 1 1.579 -0.410 0.627 0.00 0.00 +0.034 C BRANCH 21 22 ATOM 22 C LIG 1 2.860 -0.721 1.403 0.00 0.00 +0.103 C BRANCH 22 23 ATOM 23 N LIG 1 3.940 -1.098 0.495 0.00 0.00 -0.343 N ATOM 24 H LIG 1 4.473 -1.889 0.847 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 4.791 -0.149 -0.103 0.00 0.00 +0.038 A ATOM 26 C LIG 1 5.889 -0.585 -0.904 0.00 0.00 +0.021 A ATOM 27 C LIG 1 6.713 0.402 -1.500 0.00 0.00 +0.074 A ATOM 28 C LIG 1 7.802 0.015 -2.265 0.00 0.00 +0.048 A ATOM 29 C LIG 1 8.098 -1.329 -2.475 0.00 0.00 +0.043 A ATOM 30 C LIG 1 7.296 -2.316 -1.923 0.00 0.00 +0.021 A ATOM 31 CL LIG 1 9.456 -1.769 -3.434 0.00 0.00 -0.083 Cl ATOM 32 N LIG 1 6.487 1.716 -1.369 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 5.410 2.099 -0.660 0.00 0.00 +0.113 A ATOM 34 C LIG 1 6.199 -1.947 -1.145 0.00 0.00 +0.013 A ATOM 35 C LIG 1 4.545 1.223 -0.032 0.00 0.00 +0.043 A ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 9