REMARK Name = BDB045009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.022 -1.052 0.422 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -1.106 -0.193 0.167 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -2.372 -0.427 0.740 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -2.528 -1.540 1.583 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -1.454 -2.398 1.838 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.205 -2.158 1.260 0.00 0.00 +0.031 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 3.322 -0.802 -0.830 0.00 0.00 +0.113 A ATOM 8 N LIG 1 2.711 0.302 -1.351 0.00 0.00 -0.129 NA ATOM 9 N LIG 1 1.444 0.296 -0.961 0.00 0.00 -0.060 NA ATOM 10 N LIG 1 1.241 -0.783 -0.172 0.00 0.00 -0.219 N ATOM 11 C LIG 1 2.410 -1.506 -0.075 0.00 0.00 +0.144 A BRANCH 7 14 ATOM 12 C LIG 1 6.979 -0.422 -1.620 0.00 0.00 +0.034 A ATOM 13 C LIG 1 5.634 -0.125 -1.381 0.00 0.00 +0.033 A ATOM 14 C LIG 1 4.716 -1.141 -1.056 0.00 0.00 +0.005 A ATOM 15 C LIG 1 5.165 -2.466 -0.977 0.00 0.00 +0.010 A ATOM 16 C LIG 1 6.504 -2.772 -1.218 0.00 0.00 +0.002 A ATOM 17 C LIG 1 7.404 -1.754 -1.540 0.00 0.00 +0.023 A BRANCH 12 20 ATOM 18 C LIG 1 9.059 2.607 -2.472 0.00 0.00 +0.109 C ATOM 19 C LIG 1 7.803 1.917 -2.002 0.00 0.00 +0.214 C ATOM 20 N LIG 1 7.955 0.541 -1.957 0.00 0.00 -0.286 N ATOM 21 H LIG 1 8.878 0.184 -2.165 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 6.808 2.564 -1.696 0.00 0.00 -0.276 OA ENDBRANCH 12 20 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 -3.472 0.542 0.393 0.00 0.00 +0.252 C ATOM 24 N LIG 1 -4.691 0.322 1.003 0.00 0.00 -0.281 N ATOM 25 H LIG 1 -4.722 -0.475 1.632 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 -3.224 1.451 -0.394 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.891 1.040 0.839 0.00 0.00 +0.034 A ATOM 28 C LIG 1 -6.997 0.606 1.582 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -8.246 1.242 1.468 0.00 0.00 +0.057 A ATOM 30 C LIG 1 -8.370 2.341 0.607 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -7.273 2.780 -0.132 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -6.040 2.133 -0.016 0.00 0.00 +0.023 A BRANCH 29 33 ATOM 33 C LIG 1 -9.421 0.760 2.278 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -10.624 1.086 1.732 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -9.432 1.271 3.540 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -9.440 -0.595 2.427 0.00 0.00 -0.166 F ENDBRANCH 29 33 ENDBRANCH 24 27 ENDBRANCH 3 23 BRANCH 4 37 ATOM 37 O LIG 1 -3.735 -1.812 2.176 0.00 0.00 -0.506 OA ATOM 38 H LIG 1 -3.640 -2.599 2.744 0.00 0.00 +0.292 HD ENDBRANCH 4 37 TORSDOF 7