REMARK Name = BDB035849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.444 -0.365 -1.070 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.720 -0.795 -1.716 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.884 -1.500 -2.695 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.854 -0.225 -0.978 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.207 -0.364 -1.228 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.106 0.295 -0.378 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.610 1.054 0.709 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.228 1.181 0.954 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.362 0.526 0.083 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.132 0.473 0.079 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.226 -0.429 -1.006 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.867 -0.183 -0.683 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.784 -0.654 -1.451 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.079 -1.399 -2.592 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.401 -1.646 -2.962 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.452 -1.162 -2.184 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.357 -1.289 1.309 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.767 -0.679 -0.043 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.433 0.138 -0.068 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.289 -0.190 1.455 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.677 1.688 -0.390 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.430 2.628 0.271 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -7.226 2.511 1.462 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.291 3.789 -0.433 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.514 3.588 -1.466 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.135 2.272 -1.444 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.798 -3.676 1.154 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.840 -2.636 1.286 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.699 1.993 2.105 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.673 2.500 2.910 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.881 1.269 2.917 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.961 3.058 1.690 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.595 0.159 -0.601 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.095 -1.079 -0.009 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.838 -1.115 0.976 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.534 -1.264 -0.212 0.00 0.00 +0.063 C ATOM 37 C LIG 1 8.520 -0.691 0.773 0.00 0.00 +0.076 C ATOM 38 C LIG 1 8.284 -2.181 0.718 0.00 0.00 +0.030 C BRANCH 37 39 ATOM 39 C LIG 1 9.809 -0.099 0.304 0.00 0.00 +0.250 C ATOM 40 F LIG 1 10.704 -0.148 1.324 0.00 0.00 -0.206 F ATOM 41 F LIG 1 10.331 -0.840 -0.707 0.00 0.00 -0.206 F ATOM 42 C LIG 1 9.664 1.334 -0.158 0.00 0.00 +0.085 C ENDBRANCH 37 39 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9