REMARK Name = BDB008258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.245 -0.731 -0.005 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.040 -1.133 0.011 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.002 -0.224 0.234 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.715 1.116 0.446 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.619 1.538 0.426 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.617 0.586 0.194 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.960 2.957 0.643 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -0.992 3.875 -0.456 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -1.301 5.236 -0.230 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -1.343 6.156 -1.209 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -1.087 5.758 -2.472 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.780 4.460 -2.816 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.575 5.652 1.060 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.556 4.771 2.140 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -0.732 3.514 -1.798 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.248 3.421 1.948 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -1.244 2.501 3.142 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.503 -1.744 -0.323 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.131 -1.781 -0.241 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -1.642 -2.663 -0.333 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -4.202 -0.736 -0.229 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.126 -3.132 -0.620 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.292 -3.253 -2.134 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.121 -4.470 -0.110 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -5.380 -3.249 0.147 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -5.959 -2.428 -0.050 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.344 -0.606 0.258 0.00 0.00 -0.265 N ATOM 28 H LIG 1 3.051 0.101 0.436 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.835 -1.880 0.063 0.00 0.00 +0.268 C ATOM 30 O LIG 1 2.203 -2.903 -0.173 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.331 -1.933 0.166 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.953 -0.744 0.421 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 6.302 -0.784 0.515 0.00 0.00 +0.115 A ATOM 34 C LIG 1 7.063 -1.942 0.380 0.00 0.00 -0.032 A ATOM 35 C LIG 1 8.556 -1.898 0.465 0.00 0.00 +0.045 C ATOM 36 C LIG 1 6.390 -3.135 0.105 0.00 0.00 +0.007 A ATOM 37 C LIG 1 5.001 -3.137 0.001 0.00 0.00 +0.033 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6