REMARK Name = BDB048784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.696 1.872 1.690 0.00 0.00 +0.065 C ATOM 2 C LIG 1 0.392 0.933 1.319 0.00 0.00 +0.039 A ATOM 3 N LIG 1 1.702 1.311 1.111 0.00 0.00 -0.331 N ATOM 4 C LIG 1 2.200 2.668 1.127 0.00 0.00 +0.150 C ATOM 5 C LIG 1 2.439 0.178 0.828 0.00 0.00 +0.141 A ATOM 6 N LIG 1 1.639 -0.871 0.766 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 0.381 -0.430 1.089 0.00 0.00 +0.066 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 3.882 0.132 0.584 0.00 0.00 +0.017 A ATOM 9 C LIG 1 4.367 -0.527 -0.550 0.00 0.00 +0.012 A ATOM 10 C LIG 1 5.742 -0.589 -0.807 0.00 0.00 +0.009 A ATOM 11 C LIG 1 6.669 -0.004 0.070 0.00 0.00 -0.018 A ATOM 12 C LIG 1 6.174 0.637 1.216 0.00 0.00 +0.009 A ATOM 13 C LIG 1 4.799 0.700 1.475 0.00 0.00 +0.012 A BRANCH 11 14 ATOM 14 C LIG 1 8.115 -0.073 -0.198 0.00 0.00 -0.018 A ATOM 15 C LIG 1 8.902 1.091 -0.224 0.00 0.00 +0.008 A ATOM 16 C LIG 1 10.275 1.026 -0.477 0.00 0.00 +0.001 A ATOM 17 C LIG 1 10.885 -0.205 -0.709 0.00 0.00 +0.000 A ATOM 18 C LIG 1 10.123 -1.370 -0.687 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.750 -1.303 -0.434 0.00 0.00 +0.008 A ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 7 20 ATOM 20 C LIG 1 -0.750 -1.395 1.132 0.00 0.00 +0.098 C BRANCH 20 21 ATOM 21 C LIG 1 -1.185 -1.823 -0.268 0.00 0.00 +0.235 C BRANCH 21 22 ATOM 22 O LIG 1 -2.385 -2.600 -0.217 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.588 -1.947 -0.238 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -3.776 -0.564 -0.228 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -5.074 -0.069 -0.249 0.00 0.00 -0.040 A ATOM 26 C LIG 1 -5.500 1.365 -0.203 0.00 0.00 +0.036 C ATOM 27 C LIG 1 -6.949 1.255 -0.694 0.00 0.00 +0.013 C ATOM 28 C LIG 1 -7.464 -0.130 -0.238 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -6.183 -0.923 -0.270 0.00 0.00 -0.040 A ATOM 30 C LIG 1 -6.009 -2.296 -0.262 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -4.705 -2.801 -0.253 0.00 0.00 +0.046 A BRANCH 28 32 ATOM 32 C LIG 1 -8.571 -0.673 -1.133 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -9.812 0.159 -1.003 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -10.141 1.083 -1.726 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -10.568 -0.193 0.054 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -11.330 0.423 0.020 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 9