REMARK Name = BDB046182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.199 -1.756 -0.149 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -4.587 -1.617 -0.291 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -5.243 -0.452 -0.645 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -6.625 -0.815 -0.662 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.777 -2.104 -0.314 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -4.475 0.702 -0.870 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -3.080 0.620 -0.736 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -5.507 -2.599 -0.097 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -2.449 -0.580 -0.380 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -7.782 0.017 -0.982 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -7.749 0.916 -2.057 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -8.861 1.710 -2.350 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -10.015 1.610 -1.576 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -10.064 0.712 -0.512 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.954 -0.083 -0.218 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.565 -3.066 0.245 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -1.717 -2.426 2.568 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -2.617 -3.342 1.750 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -1.091 -0.718 -0.234 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 -0.293 0.463 -0.258 0.00 0.00 +0.270 C BRANCH 20 21 ATOM 21 C LIG 1 1.147 0.080 0.071 0.00 0.00 +0.270 C BRANCH 21 22 ATOM 22 O LIG 1 1.947 1.261 0.046 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 3.277 1.115 0.329 0.00 0.00 +0.121 A ATOM 24 C LIG 1 4.013 2.301 0.298 0.00 0.00 +0.046 A ATOM 25 C LIG 1 5.384 2.298 0.568 0.00 0.00 +0.007 A ATOM 26 C LIG 1 6.040 1.102 0.878 0.00 0.00 -0.047 A ATOM 27 C LIG 1 5.301 -0.087 0.901 0.00 0.00 +0.007 A ATOM 28 C LIG 1 3.928 -0.081 0.630 0.00 0.00 +0.046 A BRANCH 26 29 ATOM 29 C LIG 1 7.522 1.089 1.151 0.00 0.00 +0.035 C BRANCH 29 30 ATOM 30 C LIG 1 8.329 0.870 -0.128 0.00 0.00 +0.016 C BRANCH 30 31 ATOM 31 C LIG 1 9.825 0.860 0.160 0.00 0.00 +0.121 C BRANCH 31 32 ATOM 32 C LIG 1 10.603 0.613 -1.099 0.00 0.00 +0.305 C ATOM 33 O LIG 1 11.034 -0.462 -1.481 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 10.781 1.729 -1.830 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 11.279 1.422 -2.616 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13