REMARK Name = BDB010395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.794 -0.780 1.201 0.00 0.00 +0.198 A ATOM 2 N LIG 1 0.780 -0.293 0.392 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.342 -1.064 0.618 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.078 -1.985 1.565 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.686 -2.972 2.057 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.907 -2.982 1.508 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.408 -2.136 0.589 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.643 -1.128 0.124 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.371 -1.782 1.934 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.805 -4.056 1.988 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.352 -4.927 2.905 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.439 -4.943 3.330 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.351 -5.781 3.158 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.315 -6.716 3.941 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.431 -5.428 2.386 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.027 -4.281 1.626 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 3.039 -0.251 1.195 0.00 0.00 -0.311 N ATOM 18 H LIG 1 3.356 0.279 0.392 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 4.127 -1.022 1.792 0.00 0.00 +0.143 C BRANCH 19 22 ATOM 20 C LIG 1 7.043 -0.619 0.371 0.00 0.00 +0.068 C ATOM 21 C LIG 1 6.102 -1.757 0.225 0.00 0.00 +0.065 A ATOM 22 C LIG 1 4.835 -1.937 0.847 0.00 0.00 +0.010 A ATOM 23 C LIG 1 4.395 -3.156 0.371 0.00 0.00 +0.113 A ATOM 24 N LIG 1 5.364 -3.617 -0.465 0.00 0.00 -0.274 N ATOM 25 C LIG 1 5.360 -4.857 -1.201 0.00 0.00 +0.172 C ATOM 26 N LIG 1 6.413 -2.784 -0.577 0.00 0.00 -0.176 NA ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -2.156 -0.218 -0.799 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.946 0.729 -0.506 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.558 -0.397 -1.211 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -3.611 -1.422 -2.349 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.117 0.947 -1.719 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.362 2.036 -0.634 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -5.832 1.584 -0.584 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.645 1.025 -2.005 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.937 0.756 -0.600 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 1.090 2.178 -0.018 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.183 2.695 0.682 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.036 3.569 -0.233 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.277 4.813 -0.729 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.583 6.037 0.135 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.242 4.583 -0.805 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.565 3.131 -1.134 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9