REMARK Name = BDB000007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.223 0.530 -0.420 0.00 0.00 +0.091 C ATOM 2 C LIG 1 2.338 -0.687 -0.072 0.00 0.00 +0.187 C ATOM 3 C LIG 1 1.331 -0.917 -1.250 0.00 0.00 +0.174 C ATOM 4 N LIG 1 0.058 -1.499 -0.789 0.00 0.00 -0.307 N ATOM 5 C LIG 1 -1.002 -0.735 -0.368 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -2.045 -1.541 0.032 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -3.199 -0.892 0.501 0.00 0.00 -0.008 A ATOM 8 C LIG 1 -4.480 -1.492 1.001 0.00 0.00 +0.141 C ATOM 9 N LIG 1 -5.260 -0.341 1.358 0.00 0.00 -0.307 N ATOM 10 H LIG 1 -6.198 -0.356 1.736 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 -4.607 0.853 1.142 0.00 0.00 +0.245 C ATOM 12 O LIG 1 -5.077 1.948 1.375 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.280 0.533 0.594 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -2.257 1.421 0.229 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -2.003 2.827 0.209 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -0.716 3.018 -0.321 0.00 0.00 +0.052 A ATOM 17 N LIG 1 -0.204 1.764 -0.620 0.00 0.00 -0.311 N ATOM 18 C LIG 1 1.058 1.529 -1.315 0.00 0.00 +0.224 C ATOM 19 C LIG 1 -0.160 4.300 -0.483 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -0.919 5.408 -0.098 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.193 5.247 0.431 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -2.741 3.970 0.587 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -1.599 -2.881 -0.127 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -2.205 -4.132 0.129 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -1.482 -5.311 -0.054 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -0.162 -5.259 -0.474 0.00 0.00 +0.002 A ATOM 27 C LIG 1 0.463 -4.035 -0.737 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -1.115 0.817 -0.268 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -0.268 -2.841 -0.586 0.00 0.00 +0.053 A ATOM 30 C LIG 1 2.014 -1.759 -2.353 0.00 0.00 +0.069 C ATOM 31 O LIG 1 1.033 0.284 -2.007 0.00 0.00 -0.328 OA ATOM 32 C LIG 1 2.327 1.773 -0.490 0.00 0.00 +0.076 C ENDROOT BRANCH 1 34 ATOM 33 C LIG 1 5.249 1.723 0.292 0.00 0.00 +0.101 C ATOM 34 N LIG 1 4.300 0.660 0.584 0.00 0.00 -0.314 NA ATOM 35 H LIG 1 3.871 0.822 1.500 0.00 0.00 +0.122 HD ENDBRANCH 1 34 BRANCH 2 36 ATOM 36 O LIG 1 1.677 -0.356 1.171 0.00 0.00 -0.373 OA ATOM 37 C LIG 1 1.790 -1.378 2.153 0.00 0.00 +0.194 C ENDBRANCH 2 36 TORSDOF 2