REMARK Name = BDB010650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.240 0.030 -1.355 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.093 -0.051 -0.991 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.417 -1.391 -0.907 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.794 -2.036 -1.124 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.966 -3.366 -1.080 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.158 -4.024 -0.800 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.393 -3.506 -0.605 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.551 -2.162 -0.678 0.00 0.00 +0.102 A ATOM 9 N LIG 1 1.784 -1.159 -1.433 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.072 -5.500 -0.710 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.187 -6.206 -0.456 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.118 -5.851 -0.316 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.832 -7.497 -0.431 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -1.580 -8.441 -0.233 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 0.517 -7.582 -0.669 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.981 -6.238 -0.849 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.916 -1.680 -0.552 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.599 -1.090 -1.624 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.913 -0.661 -1.460 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -5.752 0.087 -2.756 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -5.521 -0.846 -0.230 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -4.908 -1.428 0.827 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -3.631 -1.841 0.635 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 2.781 1.762 -0.598 0.00 0.00 +0.164 C ATOM 25 N LIG 1 1.840 1.218 -1.637 0.00 0.00 -0.289 N ATOM 26 C LIG 1 2.523 1.270 -2.949 0.00 0.00 +0.109 C ATOM 27 C LIG 1 3.966 1.661 -2.669 0.00 0.00 +0.021 C ATOM 28 C LIG 1 3.850 2.502 -1.413 0.00 0.00 +0.034 C BRANCH 24 32 ATOM 29 C LIG 1 5.398 -2.002 1.008 0.00 0.00 +0.111 C ATOM 30 C LIG 1 4.546 -0.808 1.117 0.00 0.00 +0.214 A ATOM 31 O LIG 1 4.244 -0.152 -0.044 0.00 0.00 -0.423 OA ATOM 32 C LIG 1 3.409 0.836 0.408 0.00 0.00 +0.237 A ATOM 33 N LIG 1 3.269 0.823 1.719 0.00 0.00 -0.110 NA ATOM 34 N LIG 1 4.006 -0.248 2.179 0.00 0.00 -0.113 NA ENDBRANCH 24 32 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 -0.975 1.090 -0.810 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.482 1.314 0.630 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.633 2.342 0.605 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -2.778 3.064 1.938 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.521 3.891 2.265 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -1.440 4.152 3.769 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.232 3.236 1.736 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.369 1.722 1.614 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 6