REMARK Name = BDB035281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.713 0.250 2.063 0.00 0.00 +0.031 A ATOM 2 N LIG 1 2.917 1.176 1.422 0.00 0.00 -0.353 N ATOM 3 H LIG 1 3.142 2.152 1.262 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 1.755 0.581 1.016 0.00 0.00 +0.113 A ATOM 5 C LIG 1 1.806 -0.740 1.387 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.697 -1.581 1.067 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -0.359 -1.020 0.430 0.00 0.00 +0.100 A ATOM 8 N LIG 1 -0.424 0.335 0.042 0.00 0.00 -0.266 N ATOM 9 C LIG 1 0.661 1.217 0.311 0.00 0.00 +0.281 A ATOM 10 O LIG 1 0.761 2.390 -0.034 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.026 -0.956 2.065 0.00 0.00 +0.033 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.589 0.879 -0.598 0.00 0.00 +0.141 A ATOM 13 N LIG 1 -1.917 2.171 -0.378 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -3.027 2.704 -0.934 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -3.856 1.933 -1.741 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -3.558 0.589 -1.976 0.00 0.00 -0.012 A ATOM 17 C LIG 1 -2.393 0.073 -1.399 0.00 0.00 +0.055 A BRANCH 16 18 ATOM 18 C LIG 1 -4.443 -0.248 -2.806 0.00 0.00 -0.005 A ATOM 19 C LIG 1 -5.040 -1.439 -2.337 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -5.886 -2.209 -3.146 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -6.150 -1.783 -4.438 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -6.963 -2.507 -5.218 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -5.584 -0.617 -4.937 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.736 0.144 -4.127 0.00 0.00 +0.012 A BRANCH 19 25 ATOM 25 C LIG 1 -4.802 -1.941 -0.970 0.00 0.00 +0.247 C ATOM 26 N LIG 1 -5.713 -1.563 -0.026 0.00 0.00 -0.297 N ATOM 27 C LIG 1 -6.645 -0.455 0.034 0.00 0.00 +0.109 C ATOM 28 C LIG 1 -6.933 -0.913 1.471 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -5.616 -1.697 1.417 0.00 0.00 +0.109 C ATOM 30 O LIG 1 -3.849 -2.683 -0.764 0.00 0.00 -0.270 OA ENDBRANCH 19 25 ENDBRANCH 16 18 BRANCH 14 31 ATOM 31 C LIG 1 -3.319 4.157 -0.653 0.00 0.00 +0.038 C ATOM 32 C LIG 1 -3.658 4.573 0.763 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -4.709 4.641 -0.300 0.00 0.00 +0.010 C ENDBRANCH 14 31 ENDBRANCH 8 12 BRANCH 6 34 ATOM 34 C LIG 1 0.746 -2.985 1.520 0.00 0.00 +0.021 C ATOM 35 C LIG 1 1.719 -3.945 0.879 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.250 -4.090 0.617 0.00 0.00 +0.009 C ENDBRANCH 6 34 BRANCH 1 37 ATOM 37 C LIG 1 5.038 0.637 2.637 0.00 0.00 +0.137 C BRANCH 37 41 ATOM 38 C LIG 1 8.254 2.391 0.216 0.00 0.00 +0.009 C ATOM 39 C LIG 1 7.503 1.122 -0.201 0.00 0.00 +0.000 C ATOM 40 C LIG 1 6.106 1.049 0.450 0.00 0.00 +0.088 C ATOM 41 N LIG 1 6.186 0.408 1.758 0.00 0.00 -0.296 NA ATOM 42 C LIG 1 6.595 -0.998 1.680 0.00 0.00 +0.085 C ATOM 43 C LIG 1 7.489 -1.311 0.472 0.00 0.00 +0.016 C ATOM 44 C LIG 1 8.362 -0.121 0.111 0.00 0.00 +0.006 C ENDBRANCH 37 41 ENDBRANCH 1 37 TORSDOF 7