REMARK Name = BDB031767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.438 2.616 -0.583 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.647 2.712 -1.744 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.310 2.302 -1.680 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.716 1.814 -0.525 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.635 1.511 -0.895 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -0.852 1.810 -2.179 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.495 1.733 0.644 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.322 2.273 -2.622 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.383 2.558 -3.592 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.837 2.141 0.596 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.182 -1.697 -0.082 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.047 -0.381 -0.551 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.884 0.608 -0.057 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.022 2.079 -0.332 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.886 3.050 -0.585 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.186 2.506 0.534 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.609 1.385 1.226 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.383 1.405 1.872 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.646 3.633 0.594 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.820 2.645 -1.708 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.859 0.258 0.888 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.022 -1.024 1.370 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.165 -2.011 0.875 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.364 -3.931 -0.190 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.298 -2.583 -0.637 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.518 1.014 -0.001 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -1.199 0.801 0.937 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.820 0.495 -0.192 0.00 0.00 +0.187 A ATOM 29 C LIG 1 -3.584 0.151 0.942 0.00 0.00 +0.258 A ATOM 30 N LIG 1 -4.849 -0.342 0.890 0.00 0.00 -0.193 NA ATOM 31 C LIG 1 -5.391 -0.497 -0.337 0.00 0.00 +0.144 A ATOM 32 C LIG 1 -4.637 -0.124 -1.456 0.00 0.00 +0.156 A ATOM 33 N LIG 1 -3.367 0.355 -1.414 0.00 0.00 -0.232 NA BRANCH 31 34 ATOM 34 N LIG 1 -6.689 -0.980 -0.442 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -7.402 -1.229 0.821 0.00 0.00 +0.134 C ATOM 36 C LIG 1 -8.839 -1.676 0.514 0.00 0.00 +0.178 C ATOM 37 O LIG 1 -8.922 -2.883 -0.262 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -7.740 -3.146 -1.032 0.00 0.00 +0.178 C ATOM 39 C LIG 1 -7.044 -1.877 -1.555 0.00 0.00 +0.134 C ENDBRANCH 31 34 BRANCH 29 40 ATOM 40 O LIG 1 -2.969 0.305 2.179 0.00 0.00 -0.477 OA ATOM 41 C LIG 1 -3.839 0.015 3.269 0.00 0.00 +0.279 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6