REMARK Name = BDB011747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.767 0.469 -1.496 0.00 0.00 +0.247 C ATOM 2 C LIG 1 1.137 1.800 -1.093 0.00 0.00 +0.254 C ATOM 3 O LIG 1 1.234 2.765 -1.862 0.00 0.00 -0.272 OA ATOM 4 N LIG 1 0.351 1.807 0.066 0.00 0.00 -0.237 N ATOM 5 C LIG 1 -0.036 0.606 0.752 0.00 0.00 +0.063 A ATOM 6 C LIG 1 -0.415 -0.587 0.090 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.824 -1.682 0.877 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.849 -1.625 2.271 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.457 -0.467 2.920 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.417 -0.740 -1.339 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -0.050 0.632 2.167 0.00 0.00 +0.026 A ATOM 12 C LIG 1 0.660 -0.355 -2.141 0.00 0.00 +0.250 C ATOM 13 O LIG 1 0.743 -0.677 -3.331 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -0.196 3.050 0.551 0.00 0.00 +0.041 A ATOM 15 C LIG 1 -1.501 3.120 1.072 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -2.026 4.326 1.543 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -1.255 5.484 1.501 0.00 0.00 +0.000 A ATOM 18 C LIG 1 0.033 5.439 0.976 0.00 0.00 +0.002 A ATOM 19 C LIG 1 0.556 4.233 0.498 0.00 0.00 +0.024 A ENDBRANCH 4 14 BRANCH 1 21 ATOM 20 C LIG 1 3.629 0.213 0.088 0.00 0.00 +0.231 C ATOM 21 N LIG 1 2.471 -0.297 -0.467 0.00 0.00 -0.295 N ATOM 22 H LIG 1 2.526 -1.306 -0.590 0.00 0.00 +0.150 HD ATOM 23 O LIG 1 3.958 1.390 -0.014 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 4.423 -0.854 0.880 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 N LIG 1 4.443 -2.132 0.114 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 4.811 -2.865 0.722 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 5.272 -2.074 -1.089 0.00 0.00 +0.101 C ENDBRANCH 24 25 BRANCH 24 29 ATOM 28 C LIG 1 6.556 -1.292 2.223 0.00 0.00 +0.006 C ATOM 29 C LIG 1 5.790 -0.320 1.337 0.00 0.00 +0.025 C ENDBRANCH 24 29 ENDBRANCH 20 24 ENDBRANCH 1 21 BRANCH 10 30 ATOM 30 C LIG 1 -1.507 -1.496 -1.989 0.00 0.00 +0.149 C BRANCH 30 31 ATOM 31 C LIG 1 -2.908 -0.987 -1.645 0.00 0.00 -0.019 A ATOM 32 C LIG 1 -3.872 -1.831 -0.992 0.00 0.00 -0.013 A ATOM 33 C LIG 1 -5.113 -1.268 -0.597 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -6.076 -2.045 0.069 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -5.852 -3.390 0.344 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.663 -3.977 -0.054 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.401 0.070 -0.875 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -4.494 0.865 -1.565 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -3.692 -3.211 -0.710 0.00 0.00 +0.009 A ATOM 40 C LIG 1 -3.261 0.350 -1.980 0.00 0.00 -0.045 A ATOM 41 C LIG 1 -2.352 1.278 -2.745 0.00 0.00 +0.044 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7