REMARK Name = BDB047175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.163 0.859 0.919 0.00 0.00 +0.093 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.043 0.170 -0.120 0.00 0.00 +0.074 A ATOM 3 C LIG 1 3.325 0.825 -0.496 0.00 0.00 +0.011 A ATOM 4 C LIG 1 4.120 0.181 -1.442 0.00 0.00 +0.050 A ATOM 5 C LIG 1 5.341 0.737 -1.845 0.00 0.00 +0.014 A ATOM 6 C LIG 1 5.766 1.946 -1.298 0.00 0.00 +0.001 A ATOM 7 C LIG 1 4.974 2.598 -0.354 0.00 0.00 +0.001 A ATOM 8 C LIG 1 3.661 -1.091 -2.021 0.00 0.00 +0.272 A ATOM 9 O LIG 1 4.330 -1.692 -2.854 0.00 0.00 -0.266 OA ATOM 10 N LIG 1 2.448 -1.551 -1.575 0.00 0.00 -0.242 N ATOM 11 H LIG 1 2.114 -2.432 -1.954 0.00 0.00 +0.192 HD ATOM 12 C LIG 1 3.755 2.042 0.048 0.00 0.00 +0.010 A ATOM 13 N LIG 1 1.652 -0.950 -0.652 0.00 0.00 -0.175 NA ENDBRANCH 1 2 BRANCH 1 16 ATOM 14 C LIG 1 -2.391 -0.595 0.846 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -1.218 0.097 0.496 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -0.082 0.105 1.329 0.00 0.00 -0.040 A ATOM 17 C LIG 1 -0.118 -0.604 2.532 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -1.272 -1.290 2.898 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -2.395 -1.281 2.065 0.00 0.00 +0.023 A BRANCH 14 22 ATOM 20 O LIG 1 -5.008 -2.131 1.018 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.687 -1.362 0.125 0.00 0.00 +0.220 C ATOM 22 N LIG 1 -3.522 -0.590 -0.019 0.00 0.00 -0.271 N ATOM 23 C LIG 1 -3.539 0.127 -1.273 0.00 0.00 +0.114 C ATOM 24 C LIG 1 -4.999 0.153 -1.671 0.00 0.00 +0.029 C ATOM 25 C LIG 1 -5.539 -1.142 -1.103 0.00 0.00 +0.098 C ENDBRANCH 14 22 ENDBRANCH 1 16 TORSDOF 3