REMARK Name = BDB036349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.753 -0.756 -0.629 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -1.078 -2.026 -1.143 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.193 -2.750 -1.982 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.060 -2.196 -2.266 0.00 0.00 +0.024 A ATOM 5 S LIG 1 1.976 -3.255 -3.283 0.00 0.00 -0.096 S ATOM 6 C LIG 1 0.732 -4.418 -3.343 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.453 -0.940 -1.739 0.00 0.00 -0.019 A ATOM 8 C LIG 1 -0.362 -4.034 -2.608 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.511 -0.245 -0.943 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.694 -0.030 0.350 0.00 0.00 +0.060 C BRANCH 10 11 ATOM 11 C LIG 1 -3.184 -0.399 0.185 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.959 -0.101 -0.969 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -3.447 0.667 -2.154 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -5.296 -0.511 -0.953 0.00 0.00 +0.068 A ATOM 15 N LIG 1 -6.302 -0.300 -1.935 0.00 0.00 -0.262 N ATOM 16 H LIG 1 -5.971 -0.416 -2.891 0.00 0.00 +0.168 HD ATOM 17 N LIG 1 -7.445 -1.087 -1.538 0.00 0.00 -0.161 NA ATOM 18 H LIG 1 -7.435 -1.967 -2.065 0.00 0.00 +0.168 HD ATOM 19 N LIG 1 -7.238 -1.390 -0.143 0.00 0.00 -0.252 N ATOM 20 C LIG 1 -7.946 -2.483 0.498 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.886 -1.162 0.145 0.00 0.00 +0.068 A ATOM 22 C LIG 1 -5.143 -1.461 1.266 0.00 0.00 +0.026 A ATOM 23 C LIG 1 -3.795 -1.085 1.279 0.00 0.00 +0.006 A ENDBRANCH 10 11 BRANCH 10 24 ATOM 24 C LIG 1 -1.514 1.503 0.444 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 -2.325 2.130 1.551 0.00 0.00 +0.308 C ATOM 26 O LIG 1 -3.071 3.088 1.393 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -2.031 1.546 2.749 0.00 0.00 -0.465 OA BRANCH 27 29 ATOM 28 C LIG 1 -1.907 3.241 4.465 0.00 0.00 +0.048 C ATOM 29 C LIG 1 -2.707 2.087 3.892 0.00 0.00 +0.229 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 10 24 ENDBRANCH 1 10 BRANCH 7 30 ATOM 30 C LIG 1 2.816 -0.316 -1.956 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 3.935 -0.929 -1.208 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 3.835 -0.929 0.278 0.00 0.00 +0.106 C ATOM 33 C LIG 1 3.008 -2.128 0.780 0.00 0.00 +0.031 C ATOM 34 C LIG 1 3.466 0.406 0.931 0.00 0.00 +0.100 A ATOM 35 C LIG 1 3.997 1.630 0.497 0.00 0.00 +0.144 A ATOM 36 C LIG 1 3.555 2.804 1.110 0.00 0.00 +0.049 A ATOM 37 C LIG 1 2.638 2.745 2.153 0.00 0.00 +0.023 A ATOM 38 C LIG 1 2.183 1.502 2.545 0.00 0.00 +0.111 A ATOM 39 O LIG 1 4.869 1.835 -0.541 0.00 0.00 -0.486 OA ATOM 40 C LIG 1 5.820 0.790 -0.772 0.00 0.00 +0.187 C ATOM 41 N LIG 1 2.575 0.349 1.966 0.00 0.00 -0.255 NA ATOM 42 C LIG 1 5.222 -0.344 -1.646 0.00 0.00 +0.130 C BRANCH 40 43 ATOM 43 C LIG 1 7.031 1.410 -1.495 0.00 0.00 +0.042 C ATOM 44 C LIG 1 7.739 2.461 -0.646 0.00 0.00 +0.007 C ENDBRANCH 40 43 ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 9