REMARK Name = BDB019838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.261 -0.171 -0.547 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.022 -0.513 -0.106 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.096 0.360 -0.313 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -1.872 1.577 -0.968 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.582 1.955 -1.375 0.00 0.00 -0.029 A ATOM 6 C LIG 1 0.484 1.068 -1.163 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.420 0.022 0.170 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -4.351 0.761 0.962 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -5.480 0.047 1.159 0.00 0.00 -0.167 NA ATOM 10 N LIG 1 -5.253 -1.124 0.540 0.00 0.00 -0.270 N ATOM 11 C LIG 1 -4.042 -1.180 -0.084 0.00 0.00 +0.117 A BRANCH 8 12 ATOM 12 C LIG 1 -4.163 2.144 1.532 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -4.457 3.112 0.623 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -2.879 2.370 1.933 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -4.942 2.386 2.623 0.00 0.00 -0.164 F ENDBRANCH 8 12 BRANCH 10 16 ATOM 16 C LIG 1 -6.280 -2.147 0.530 0.00 0.00 +0.146 C BRANCH 16 17 ATOM 17 C LIG 1 -6.256 -3.121 1.723 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -6.512 -2.422 3.058 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -4.965 -3.937 1.786 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 3 7 BRANCH 1 22 ATOM 20 N LIG 1 2.361 -1.164 -1.253 0.00 0.00 -0.304 N ATOM 21 H LIG 1 2.277 -0.625 -2.100 0.00 0.00 +0.150 HD ATOM 22 C LIG 1 1.371 -1.129 -0.299 0.00 0.00 +0.245 C ATOM 23 O LIG 1 1.347 -1.846 0.693 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 3.541 -1.995 -1.104 0.00 0.00 +0.107 C BRANCH 24 31 ATOM 25 C LIG 1 7.497 -1.925 2.035 0.00 0.00 +0.047 C ATOM 26 C LIG 1 6.599 -1.215 1.069 0.00 0.00 -0.015 A ATOM 27 C LIG 1 6.848 0.112 0.720 0.00 0.00 +0.126 A ATOM 28 F LIG 1 7.883 0.765 1.267 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.041 0.781 -0.194 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.965 0.117 -0.784 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.692 -1.226 -0.469 0.00 0.00 -0.027 A ATOM 32 C LIG 1 5.525 -1.880 0.460 0.00 0.00 +0.011 A ENDBRANCH 24 31 BRANCH 24 33 ATOM 33 C LIG 1 3.853 -2.609 -2.450 0.00 0.00 +0.014 C ATOM 34 C LIG 1 5.248 -2.874 -2.971 0.00 0.00 +0.006 C ATOM 35 C LIG 1 4.392 -1.823 -3.625 0.00 0.00 +0.006 C ENDBRANCH 24 33 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 5 36 ATOM 36 C LIG 1 -0.345 3.311 -2.006 0.00 0.00 +0.144 C BRANCH 36 37 ATOM 37 N LIG 1 -0.644 4.396 -1.098 0.00 0.00 -0.278 N ATOM 38 C LIG 1 -1.853 5.009 -1.038 0.00 0.00 +0.278 C ATOM 39 N LIG 1 -2.839 4.944 -1.848 0.00 0.00 -0.253 NA ATOM 40 H LIG 1 -3.573 5.538 -1.445 0.00 0.00 +0.191 HD ATOM 41 O LIG 1 -1.960 5.772 0.081 0.00 0.00 -0.464 OA ATOM 42 C LIG 1 -0.690 5.732 0.753 0.00 0.00 +0.251 C ATOM 43 C LIG 1 0.054 4.548 0.153 0.00 0.00 +0.151 C ENDBRANCH 36 37 ENDBRANCH 5 36 TORSDOF 10