REMARK Name = BDB034147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.024 -1.996 0.203 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 -0.422 -1.081 1.276 0.00 0.00 +0.085 C ATOM 3 C LIG 1 -1.595 -0.167 0.891 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -2.533 -0.867 -0.101 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -1.763 -1.277 -1.372 0.00 0.00 +0.023 C ATOM 6 C LIG 1 -0.258 -1.456 -1.130 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.767 -0.053 -0.427 0.00 0.00 -0.026 A ATOM 8 C LIG 1 -5.037 -0.610 -0.281 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -6.194 0.035 -0.552 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -6.078 1.316 -1.001 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.865 1.962 -1.189 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -3.696 1.263 -0.899 0.00 0.00 +0.007 A BRANCH 10 13 ATOM 13 C LIG 1 -7.361 2.032 -1.306 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -8.496 1.294 -1.044 0.00 0.00 -0.313 N ATOM 15 H LIG 1 -8.340 0.327 -0.769 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -9.812 1.752 -1.391 0.00 0.00 +0.128 C ATOM 17 O LIG 1 -7.369 3.171 -1.758 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 1.282 -2.632 0.400 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 6.467 1.301 0.773 0.00 0.00 +0.019 A ATOM 20 C LIG 1 5.904 1.133 2.154 0.00 0.00 +0.252 A ATOM 21 O LIG 1 6.398 1.690 3.129 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 4.803 0.326 2.285 0.00 0.00 -0.321 N ATOM 23 H LIG 1 4.440 0.223 3.223 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 4.193 -0.319 1.204 0.00 0.00 +0.068 A ATOM 25 C LIG 1 4.705 -0.156 -0.081 0.00 0.00 +0.088 A ATOM 26 N LIG 1 4.180 -0.742 -1.177 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 3.092 -1.522 -0.974 0.00 0.00 +0.116 A ATOM 28 C LIG 1 2.495 -1.745 0.269 0.00 0.00 -0.013 A ATOM 29 C LIG 1 3.076 -1.126 1.383 0.00 0.00 +0.034 A ATOM 30 C LIG 1 5.877 0.691 -0.270 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 8.957 1.505 1.051 0.00 0.00 +0.009 C ATOM 32 C LIG 1 7.668 2.194 0.623 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5