REMARK Name = BDB027774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.572 0.807 -0.161 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.163 2.148 -0.075 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.209 2.341 0.090 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.634 3.660 0.163 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.840 4.761 0.096 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.477 4.540 -0.042 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.086 1.330 0.181 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.595 0.084 0.125 0.00 0.00 +0.164 A ATOM 9 C LIG 1 -1.023 3.273 -0.132 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.298 -0.211 -0.042 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.534 -1.035 0.247 0.00 0.00 +0.040 A ATOM 12 C LIG 1 3.902 -0.832 0.385 0.00 0.00 +0.146 A ATOM 13 N LIG 1 4.807 -1.833 0.498 0.00 0.00 -0.157 NA ATOM 14 N LIG 1 4.378 -3.119 0.481 0.00 0.00 -0.158 NA ATOM 15 C LIG 1 3.062 -3.372 0.352 0.00 0.00 +0.135 A ATOM 16 C LIG 1 2.118 -2.370 0.233 0.00 0.00 +0.034 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.953 0.511 -0.335 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -2.314 1.061 -1.110 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.137 -1.652 -1.641 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.400 -0.905 -0.353 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.404 -1.696 0.935 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -3.700 -1.216 0.357 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3