REMARK Name = BDB032746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.155 -2.565 -2.901 0.00 0.00 +0.269 C ENDROOT BRANCH 1 9 ATOM 2 N LIG 1 6.285 -0.718 -0.249 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.533 -1.876 -0.399 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.768 -2.988 0.033 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.361 -1.521 -1.206 0.00 0.00 +0.042 A ATOM 6 C LIG 1 4.415 -0.155 -1.472 0.00 0.00 -0.018 A ATOM 7 C LIG 1 3.416 0.449 -2.212 0.00 0.00 +0.006 A ATOM 8 C LIG 1 2.366 -0.351 -2.680 0.00 0.00 +0.007 A ATOM 9 C LIG 1 2.319 -1.740 -2.414 0.00 0.00 -0.010 A ATOM 10 C LIG 1 3.336 -2.333 -1.652 0.00 0.00 +0.020 A ATOM 11 C LIG 1 5.627 0.441 -0.839 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 8.990 3.021 1.848 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.631 1.897 1.510 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.934 1.092 2.370 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.664 1.571 3.220 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.026 0.155 1.948 0.00 0.00 +0.240 C ATOM 17 O LIG 1 5.964 0.011 2.548 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.407 -0.636 0.684 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.695 -0.127 0.036 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.818 1.386 0.102 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 O LIG 1 0.178 -2.664 -1.858 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -0.855 -1.787 -1.929 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -1.657 -1.992 -0.843 0.00 0.00 -0.250 N ATOM 24 H LIG 1 -1.325 -2.715 -0.219 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -1.010 -0.969 -2.821 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -2.838 -1.309 -0.508 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -3.412 -0.290 -1.252 0.00 0.00 +0.136 A ATOM 28 N LIG 1 -4.557 0.356 -0.906 0.00 0.00 -0.238 NA ATOM 29 C LIG 1 -5.202 -0.010 0.222 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -4.671 -1.014 1.032 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -3.492 -1.669 0.665 0.00 0.00 +0.028 A BRANCH 29 32 ATOM 32 N LIG 1 -6.373 0.666 0.596 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -6.750 1.757 -0.341 0.00 0.00 +0.138 C ATOM 34 C LIG 1 -8.056 2.445 0.123 0.00 0.00 +0.136 C ATOM 35 O LIG 1 -9.110 1.452 0.155 0.00 0.00 -0.370 OA ATOM 36 C LIG 1 -8.760 0.665 1.315 0.00 0.00 +0.136 C ATOM 37 C LIG 1 -8.467 1.723 2.376 0.00 0.00 +0.036 C ATOM 38 C LIG 1 -7.988 2.925 1.570 0.00 0.00 +0.036 C ATOM 39 C LIG 1 -7.516 -0.197 0.976 0.00 0.00 +0.138 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6