REMARK Name = BDB035280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.856 0.015 -0.286 0.00 0.00 -0.266 N ATOM 2 C LIG 1 0.080 -0.235 0.887 0.00 0.00 +0.281 A ATOM 3 O LIG 1 0.356 -0.994 1.812 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 -1.115 0.578 0.969 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -1.506 1.518 0.048 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -2.703 2.104 0.504 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -3.029 1.489 1.704 0.00 0.00 +0.031 A ATOM 8 C LIG 1 -0.695 1.715 -1.110 0.00 0.00 -0.018 A ATOM 9 N LIG 1 -2.046 0.562 1.973 0.00 0.00 -0.353 N ATOM 10 H LIG 1 -1.999 -0.050 2.779 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.436 0.981 -1.224 0.00 0.00 +0.100 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.256 -1.046 -1.451 0.00 0.00 -0.012 A ATOM 13 C LIG 1 3.102 -0.275 -1.258 0.00 0.00 +0.055 A ATOM 14 C LIG 1 2.052 -0.763 -0.481 0.00 0.00 +0.141 A ATOM 15 N LIG 1 2.138 -1.984 0.085 0.00 0.00 -0.234 NA ATOM 16 C LIG 1 3.238 -2.755 -0.087 0.00 0.00 +0.047 A ATOM 17 C LIG 1 4.302 -2.311 -0.863 0.00 0.00 +0.032 A BRANCH 12 19 ATOM 18 C LIG 1 6.696 -0.379 -1.716 0.00 0.00 +0.047 A ATOM 19 C LIG 1 5.390 -0.531 -2.239 0.00 0.00 -0.005 A ATOM 20 C LIG 1 5.187 -0.206 -3.596 0.00 0.00 +0.012 A ATOM 21 C LIG 1 6.240 0.239 -4.399 0.00 0.00 +0.039 A ATOM 22 C LIG 1 7.514 0.356 -3.859 0.00 0.00 +0.124 A ATOM 23 F LIG 1 8.522 0.774 -4.634 0.00 0.00 -0.205 F ATOM 24 C LIG 1 7.755 0.048 -2.529 0.00 0.00 +0.052 A BRANCH 18 28 ATOM 25 C LIG 1 6.458 -0.295 2.053 0.00 0.00 +0.128 C ATOM 26 N LIG 1 6.296 -0.014 0.649 0.00 0.00 -0.314 N ATOM 27 H LIG 1 5.498 0.540 0.367 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 7.042 -0.670 -0.303 0.00 0.00 +0.245 C ATOM 29 O LIG 1 7.966 -1.435 -0.056 0.00 0.00 -0.270 OA ENDBRANCH 18 28 ENDBRANCH 12 19 BRANCH 16 30 ATOM 30 C LIG 1 3.275 -4.112 0.573 0.00 0.00 +0.038 C ATOM 31 C LIG 1 4.303 -4.411 1.641 0.00 0.00 +0.010 C ATOM 32 C LIG 1 2.861 -4.251 2.020 0.00 0.00 +0.010 C ENDBRANCH 16 30 ENDBRANCH 1 14 BRANCH 8 33 ATOM 33 C LIG 1 -1.138 2.724 -2.092 0.00 0.00 +0.021 C ATOM 34 C LIG 1 -2.401 2.486 -2.885 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.071 2.430 -3.573 0.00 0.00 +0.009 C ENDBRANCH 8 33 BRANCH 7 36 ATOM 36 C LIG 1 -4.186 1.702 2.626 0.00 0.00 +0.137 C BRANCH 36 37 ATOM 37 N LIG 1 -5.467 1.545 1.931 0.00 0.00 -0.296 NA ATOM 38 C LIG 1 -5.754 0.158 1.558 0.00 0.00 +0.088 C ATOM 39 C LIG 1 -6.936 0.122 0.567 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -7.489 -1.300 0.465 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -8.043 1.128 0.933 0.00 0.00 +0.006 C ATOM 42 C LIG 1 -7.947 1.547 2.394 0.00 0.00 +0.016 C ATOM 43 C LIG 1 -6.563 2.122 2.726 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 7 36 TORSDOF 7