REMARK Name = BDB008074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.061 -0.012 -1.250 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.600 1.256 -0.610 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.260 2.299 -1.361 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.627 3.301 -0.468 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -2.296 4.467 -0.859 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.597 4.611 -2.215 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.242 3.636 -3.141 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -3.420 6.027 -2.748 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -1.200 2.905 0.770 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -1.306 3.439 1.624 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -1.573 2.477 -2.727 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.578 1.677 0.723 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -0.035 1.064 1.906 0.00 0.00 +0.354 C ATOM 14 O LIG 1 0.544 -0.001 2.010 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -0.246 1.842 2.989 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 0.196 1.342 3.708 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -1.498 -1.503 0.112 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -2.121 -0.704 0.120 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -0.240 -1.331 -0.449 0.00 0.00 +0.239 C ATOM 20 O LIG 1 0.617 -2.213 -0.444 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -3.393 -2.476 1.292 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.932 -2.697 0.856 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -1.883 -3.949 -0.034 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -1.079 -2.910 2.115 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 1.277 0.186 -1.838 0.00 0.00 -0.284 N ATOM 26 C LIG 1 1.591 -0.480 -3.009 0.00 0.00 +0.329 C ATOM 27 O LIG 1 2.668 -0.440 -3.589 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 2.334 0.935 -1.159 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 C LIG 1 3.052 0.189 -0.064 0.00 0.00 +0.011 A ATOM 30 C LIG 1 3.322 0.830 1.152 0.00 0.00 +0.166 A ATOM 31 F LIG 1 2.911 2.094 1.342 0.00 0.00 -0.202 F ATOM 32 C LIG 1 3.993 0.176 2.182 0.00 0.00 +0.197 A ATOM 33 F LIG 1 4.212 0.811 3.343 0.00 0.00 -0.199 F ATOM 34 C LIG 1 4.431 -1.126 2.006 0.00 0.00 +0.196 A ATOM 35 F LIG 1 5.083 -1.755 2.994 0.00 0.00 -0.199 F ATOM 36 C LIG 1 4.206 -1.768 0.796 0.00 0.00 +0.162 A ATOM 37 F LIG 1 4.649 -3.018 0.609 0.00 0.00 -0.202 F ATOM 38 C LIG 1 3.531 -1.120 -0.239 0.00 0.00 +0.049 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8