REMARK Name = BDB013941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.552 -1.550 -0.601 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.806 -0.940 0.599 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.115 0.174 1.033 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.234 -1.710 1.132 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.242 -3.150 1.089 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.952 -3.905 1.021 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.892 -5.310 0.944 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.329 -5.976 0.956 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.505 -5.247 1.057 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.315 -3.266 1.111 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.459 -3.852 1.129 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.673 -2.474 -0.137 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 2.436 -0.616 -2.739 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.071 -0.466 -1.422 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.350 0.402 -0.964 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 2.288 -1.665 -3.357 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 2.984 0.691 -3.365 0.00 0.00 +0.137 C ATOM 18 C LIG 1 3.668 0.400 -4.699 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 4.141 2.736 -2.691 0.00 0.00 +0.101 C ATOM 20 N LIG 1 3.893 1.335 -2.384 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.777 0.825 -2.369 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.180 -1.018 2.021 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -1.906 0.175 1.393 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.768 1.514 1.898 0.00 0.00 -0.009 A ATOM 25 C LIG 1 -2.525 2.571 1.308 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -2.396 3.891 1.822 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -1.533 4.185 2.882 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -0.785 3.171 3.451 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.395 2.261 0.242 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -3.516 0.969 -0.254 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -0.903 1.867 2.966 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.765 -0.058 0.302 0.00 0.00 +0.125 A BRANCH 26 33 ATOM 33 C LIG 1 -3.161 5.033 1.254 0.00 0.00 +0.161 C ATOM 34 O LIG 1 -3.111 5.285 0.054 0.00 0.00 -0.292 OA ATOM 35 C LIG 1 -3.966 5.876 2.210 0.00 0.00 +0.091 C ENDBRANCH 26 33 BRANCH 32 36 ATOM 36 O LIG 1 -2.923 -1.335 -0.172 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 -2.546 -1.443 -1.548 0.00 0.00 +0.277 C ENDBRANCH 32 36 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7