REMARK Name = BDB006444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.064 -4.451 -1.217 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.277 -3.185 -0.460 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.466 -2.010 -0.528 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.022 -1.059 0.331 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.461 0.222 0.480 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.693 0.534 -0.247 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.278 -0.406 -1.097 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.141 -1.639 0.906 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.697 -1.672 -1.254 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.298 -2.932 0.444 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.413 -3.822 0.879 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.509 -0.098 -1.879 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.374 0.814 -1.315 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.259 1.051 -0.339 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.725 -0.668 -2.942 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.661 1.119 -1.921 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.505 2.001 -3.163 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.570 1.748 -0.878 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.626 0.997 -0.333 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.474 1.532 0.652 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.244 2.841 1.095 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.194 3.595 0.571 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.360 3.051 -0.405 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -8.619 0.726 1.241 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -9.646 0.342 0.173 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -8.111 -0.514 1.981 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.997 -0.987 1.900 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.326 -0.539 1.340 0.00 0.00 -0.028 A ATOM 29 C LIG 1 4.415 0.213 0.162 0.00 0.00 +0.006 A ATOM 30 C LIG 1 5.656 0.638 -0.323 0.00 0.00 +0.009 A ATOM 31 C LIG 1 6.845 0.338 0.359 0.00 0.00 -0.018 A ATOM 32 C LIG 1 6.748 -0.402 1.547 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.509 -0.831 2.034 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 8.150 0.784 -0.155 0.00 0.00 -0.018 A ATOM 35 C LIG 1 9.035 1.517 0.652 0.00 0.00 +0.008 A ATOM 36 C LIG 1 10.274 1.941 0.164 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.650 1.637 -1.142 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.787 0.911 -1.960 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.548 0.489 -1.470 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 7