REMARK Name = BDB062834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.556 -1.298 -3.169 0.00 0.00 +0.064 C ATOM 2 C LIG 1 0.550 -1.116 -2.083 0.00 0.00 +0.020 A ATOM 3 N LIG 1 -0.548 -1.946 -1.953 0.00 0.00 -0.343 N ATOM 4 C LIG 1 -0.846 -3.059 -2.836 0.00 0.00 +0.149 C ATOM 5 C LIG 1 -1.317 -1.561 -0.874 0.00 0.00 +0.105 A ATOM 6 C LIG 1 -0.676 -0.471 -0.309 0.00 0.00 +0.037 A ATOM 7 C LIG 1 0.505 -0.186 -1.051 0.00 0.00 -0.012 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.504 -2.255 -0.399 0.00 0.00 +0.263 C ATOM 9 N LIG 1 -3.595 -1.472 -0.002 0.00 0.00 -0.293 N ATOM 10 C LIG 1 -4.761 -2.193 0.517 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -5.714 -1.294 1.325 0.00 0.00 +0.125 C ATOM 12 N LIG 1 -6.074 -0.092 0.541 0.00 0.00 -0.312 N ATOM 13 C LIG 1 -4.878 0.676 0.131 0.00 0.00 +0.125 C ATOM 14 C LIG 1 -3.928 -0.214 -0.690 0.00 0.00 +0.127 C ATOM 15 O LIG 1 -2.544 -3.483 -0.331 0.00 0.00 -0.268 OA BRANCH 12 16 ATOM 16 C LIG 1 -7.034 0.710 1.192 0.00 0.00 +0.121 A ATOM 17 N LIG 1 -6.728 1.979 1.543 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 -7.681 2.732 2.137 0.00 0.00 +0.113 A ATOM 19 C LIG 1 -8.960 2.285 2.409 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -9.281 0.987 2.042 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -8.312 0.196 1.426 0.00 0.00 +0.043 A ENDBRANCH 12 16 ENDBRANCH 5 8 BRANCH 7 22 ATOM 22 C LIG 1 1.493 0.904 -0.735 0.00 0.00 +0.122 C BRANCH 22 23 ATOM 23 N LIG 1 1.946 0.767 0.650 0.00 0.00 -0.289 NA ATOM 24 C LIG 1 2.827 1.857 1.119 0.00 0.00 +0.075 C ATOM 25 C LIG 1 4.159 1.986 0.316 0.00 0.00 +0.124 C ATOM 26 N LIG 1 4.900 0.708 0.325 0.00 0.00 -0.326 N ATOM 27 C LIG 1 4.087 -0.513 0.123 0.00 0.00 +0.124 C ATOM 28 C LIG 1 3.108 1.354 2.544 0.00 0.00 +0.022 C ATOM 29 C LIG 1 3.054 -0.176 2.426 0.00 0.00 +0.022 C ATOM 30 C LIG 1 2.761 -0.435 0.940 0.00 0.00 +0.075 C BRANCH 26 31 ATOM 31 C LIG 1 6.170 0.709 -0.253 0.00 0.00 +0.047 A ATOM 32 C LIG 1 6.456 0.845 -1.625 0.00 0.00 +0.073 A ATOM 33 C LIG 1 7.789 0.830 -2.076 0.00 0.00 +0.021 A ATOM 34 C LIG 1 8.844 0.680 -1.177 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.576 0.544 0.178 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.255 0.558 0.630 0.00 0.00 +0.024 A BRANCH 32 37 ATOM 37 C LIG 1 5.428 0.999 -2.611 0.00 0.00 +0.101 C ATOM 38 N LIG 1 4.616 1.137 -3.430 0.00 0.00 -0.191 NA ENDBRANCH 32 37 ENDBRANCH 26 31 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 6