REMARK Name = BDB013907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.569 -0.360 1.738 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -1.412 -1.148 2.323 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -1.195 -1.044 3.538 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.633 -1.957 1.496 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.077 -2.608 0.265 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -2.400 -2.663 -0.242 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.651 -3.345 -1.473 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.657 -3.975 -2.204 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.373 -3.946 -1.717 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.690 -2.097 0.311 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.105 -3.282 -0.514 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.722 -1.325 1.604 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -2.957 1.389 0.022 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.197 0.361 0.525 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -1.433 -0.011 -0.028 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -3.995 1.761 0.569 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -2.466 1.981 -1.327 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -0.987 2.357 -1.285 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -3.507 3.352 -3.046 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -3.253 3.197 -1.622 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -4.149 3.118 -1.127 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.684 -2.331 2.095 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 1.938 -1.705 1.462 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.107 -0.293 1.281 0.00 0.00 -0.010 A ATOM 25 C LIG 1 3.222 0.176 0.541 0.00 0.00 -0.017 A ATOM 26 C LIG 1 3.388 1.547 0.277 0.00 0.00 +0.020 A ATOM 27 C LIG 1 2.490 2.496 0.770 0.00 0.00 +0.020 A ATOM 28 C LIG 1 1.435 2.069 1.568 0.00 0.00 +0.012 A ATOM 29 C LIG 1 4.186 -0.724 0.081 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.090 -2.080 0.368 0.00 0.00 +0.046 A ATOM 31 C LIG 1 1.259 0.702 1.819 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.993 -2.571 1.074 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 2.714 3.918 0.449 0.00 0.00 +0.162 A ATOM 34 N LIG 1 1.827 4.877 0.817 0.00 0.00 -0.290 N ATOM 35 H LIG 1 0.946 4.807 1.293 0.00 0.00 +0.172 HD ATOM 36 C LIG 1 2.328 6.057 0.356 0.00 0.00 +0.342 A ATOM 37 O LIG 1 1.826 7.160 0.470 0.00 0.00 -0.245 OA ATOM 38 N LIG 1 3.519 5.730 -0.270 0.00 0.00 -0.226 N ATOM 39 H LIG 1 4.147 6.373 -0.732 0.00 0.00 +0.194 HD ATOM 40 N LIG 1 3.744 4.380 -0.206 0.00 0.00 -0.151 NA ENDBRANCH 27 33 BRANCH 32 41 ATOM 41 O LIG 1 2.845 -3.903 1.371 0.00 0.00 -0.495 OA ATOM 42 C LIG 1 4.044 -4.660 1.516 0.00 0.00 +0.277 C ENDBRANCH 32 41 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7