REMARK Name = BDB064119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.154 -1.550 -2.012 0.00 0.00 +0.200 A ATOM 2 N LIG 1 1.802 -1.582 -1.817 0.00 0.00 -0.306 N ATOM 3 C LIG 1 1.031 -1.298 -0.628 0.00 0.00 +0.144 C ATOM 4 C LIG 1 -0.400 -0.917 -0.999 0.00 0.00 +0.130 C ATOM 5 N LIG 1 -0.958 -1.879 -1.957 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -0.237 -2.010 -3.229 0.00 0.00 +0.184 C ATOM 7 C LIG 1 -2.279 -2.320 -1.943 0.00 0.00 +0.250 C ATOM 8 O LIG 1 -2.848 -2.755 -2.942 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.233 -1.889 -3.027 0.00 0.00 +0.151 A ATOM 10 N LIG 1 2.187 -1.997 -3.926 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 3.390 -1.770 -3.291 0.00 0.00 -0.126 NA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.055 -2.275 -0.691 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -2.576 -2.861 0.479 0.00 0.00 +0.135 A ATOM 14 F LIG 1 -1.368 -3.444 0.513 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -3.337 -2.836 1.644 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -4.596 -2.232 1.637 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -5.106 -1.663 0.460 0.00 0.00 -0.041 A ATOM 18 C LIG 1 -4.327 -1.692 -0.708 0.00 0.00 +0.020 A BRANCH 17 19 ATOM 19 C LIG 1 -6.464 -0.998 0.452 0.00 0.00 +0.093 C BRANCH 19 20 ATOM 20 C LIG 1 -6.452 0.496 0.762 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -7.744 1.232 0.720 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -7.716 2.595 1.006 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -8.892 3.354 0.985 0.00 0.00 +0.014 A ATOM 24 C LIG 1 -10.105 2.742 0.675 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -10.142 1.377 0.389 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -6.432 3.232 1.336 0.00 0.00 +0.272 A ATOM 27 O LIG 1 -6.357 4.427 1.597 0.00 0.00 -0.266 OA ATOM 28 N LIG 1 -5.333 2.409 1.334 0.00 0.00 -0.242 N ATOM 29 H LIG 1 -4.438 2.832 1.561 0.00 0.00 +0.192 HD ATOM 30 C LIG 1 -8.966 0.620 0.410 0.00 0.00 +0.010 A ATOM 31 N LIG 1 -5.326 1.079 1.058 0.00 0.00 -0.175 NA ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 12 BRANCH 1 34 ATOM 32 C LIG 1 6.112 -0.607 -0.230 0.00 0.00 +0.120 A ATOM 33 O LIG 1 5.360 -0.704 -1.360 0.00 0.00 -0.455 OA ATOM 34 C LIG 1 4.168 -1.303 -1.034 0.00 0.00 +0.172 A ATOM 35 C LIG 1 4.191 -1.600 0.321 0.00 0.00 +0.053 A ATOM 36 C LIG 1 5.430 -1.149 0.835 0.00 0.00 +0.047 A BRANCH 32 37 ATOM 37 C LIG 1 7.458 0.023 -0.375 0.00 0.00 +0.158 C BRANCH 37 38 ATOM 38 N LIG 1 7.641 1.165 0.552 0.00 0.00 -0.296 NA BRANCH 38 40 ATOM 39 C LIG 1 9.838 0.530 1.544 0.00 0.00 +0.020 C ATOM 40 C LIG 1 9.070 1.512 0.663 0.00 0.00 +0.081 C ENDBRANCH 38 40 BRANCH 38 41 ATOM 41 C LIG 1 6.855 2.324 0.077 0.00 0.00 +0.081 C ATOM 42 C LIG 1 6.619 3.351 1.181 0.00 0.00 +0.020 C ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 32 37 ENDBRANCH 1 34 TORSDOF 8