REMARK Name = BDB035750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.804 0.644 0.657 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.262 1.507 0.936 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.283 2.668 1.300 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.499 0.751 0.701 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.809 1.174 0.838 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.828 0.258 0.547 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.489 -1.050 0.120 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.151 -1.465 -0.013 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.163 -0.532 0.288 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.324 -0.667 0.238 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.549 0.250 0.517 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -3.162 -0.009 0.421 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.189 0.948 0.762 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.639 2.195 1.204 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.003 2.479 1.300 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.951 1.518 0.958 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.550 -0.842 0.109 0.00 0.00 +0.233 C ATOM 18 F LIG 1 -4.902 -1.780 -0.666 0.00 0.00 -0.225 F BRANCH 17 21 ATOM 19 C LIG 1 -5.612 -0.460 -2.995 0.00 0.00 +0.151 C ATOM 20 N LIG 1 -6.665 -0.117 -2.077 0.00 0.00 -0.318 N ATOM 21 C LIG 1 -6.680 -0.271 -0.713 0.00 0.00 +0.178 A ATOM 22 N LIG 1 -7.832 0.193 -0.258 0.00 0.00 -0.131 NA ATOM 23 N LIG 1 -8.567 0.645 -1.324 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 -7.856 0.450 -2.409 0.00 0.00 +0.224 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 C LIG 1 -6.128 -1.647 1.289 0.00 0.00 +0.202 C ATOM 26 C LIG 1 -5.125 -2.124 2.360 0.00 0.00 +0.206 C ATOM 27 O LIG 1 -5.608 -1.146 3.312 0.00 0.00 -0.373 OA ATOM 28 C LIG 1 -6.770 -0.900 2.479 0.00 0.00 +0.206 C ATOM 29 F LIG 1 -6.891 -2.665 0.791 0.00 0.00 -0.233 F ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.792 -2.851 -0.475 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.095 -2.837 -1.645 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.863 -3.663 -0.681 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.993 -3.498 0.418 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.282 0.661 0.661 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.879 0.766 -0.670 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.392 1.497 -1.189 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.336 0.948 -0.620 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.021 -0.398 -0.248 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.961 -0.181 -1.452 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.865 0.715 -2.067 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.804 2.227 0.049 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8