REMARK Name = BDB058308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.291 -3.129 0.427 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.236 -2.153 1.392 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -0.990 -1.646 1.782 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -1.138 -0.817 2.680 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -2.190 -2.158 1.072 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -1.998 -3.105 0.138 0.00 0.00 +0.055 A ATOM 7 N LIG 1 -0.758 -3.609 -0.160 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -3.125 -3.698 -0.708 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -2.804 -3.647 -2.207 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -3.430 -5.133 -0.273 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 1.626 -3.702 -0.039 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 2.162 -2.974 -1.276 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 2.113 -2.746 -3.784 0.00 0.00 +0.004 C ATOM 14 C LIG 1 1.500 -3.437 -2.576 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 1.406 -1.657 2.124 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 2.219 -0.638 1.357 0.00 0.00 -0.028 A ATOM 17 C LIG 1 3.598 -0.817 1.181 0.00 0.00 +0.006 A ATOM 18 C LIG 1 4.355 0.125 0.477 0.00 0.00 +0.009 A ATOM 19 C LIG 1 3.757 1.278 -0.053 0.00 0.00 -0.017 A ATOM 20 C LIG 1 2.380 1.461 0.141 0.00 0.00 +0.009 A ATOM 21 C LIG 1 1.621 0.519 0.841 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 4.546 2.260 -0.812 0.00 0.00 -0.007 A ATOM 23 C LIG 1 5.526 3.091 -0.232 0.00 0.00 +0.028 A ATOM 24 C LIG 1 6.276 3.976 -1.027 0.00 0.00 +0.012 A ATOM 25 C LIG 1 6.057 4.044 -2.402 0.00 0.00 +0.001 A ATOM 26 C LIG 1 5.092 3.233 -2.990 0.00 0.00 +0.001 A ATOM 27 C LIG 1 4.345 2.353 -2.203 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 5.785 3.088 1.216 0.00 0.00 +0.183 A ATOM 29 N LIG 1 7.046 3.080 1.667 0.00 0.00 -0.271 N ATOM 30 H LIG 1 7.908 3.020 1.155 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 6.973 3.046 3.006 0.00 0.00 +0.440 A ATOM 32 O LIG 1 7.924 2.988 3.769 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 5.652 3.077 3.373 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 4.900 3.098 2.155 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 -3.490 -1.537 1.503 0.00 0.00 +0.163 C BRANCH 35 36 ATOM 36 C LIG 1 -3.611 -0.131 0.946 0.00 0.00 +0.312 C ATOM 37 O LIG 1 -2.975 0.320 0.002 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.589 0.539 1.623 0.00 0.00 -0.461 OA BRANCH 38 39 ATOM 39 C LIG 1 -4.832 1.894 1.202 0.00 0.00 +0.176 C ATOM 40 C LIG 1 -5.501 2.631 2.360 0.00 0.00 +0.044 C ATOM 41 C LIG 1 -5.772 4.098 2.025 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -5.996 4.351 0.533 0.00 0.00 +0.000 C ATOM 43 C LIG 1 -6.615 3.144 -0.159 0.00 0.00 +0.004 C ATOM 44 C LIG 1 -5.729 1.901 -0.045 0.00 0.00 +0.044 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 12