REMARK Name = BDB064460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.542 1.105 -0.732 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -0.660 1.899 -2.051 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -0.088 2.981 -2.217 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.333 1.352 -3.113 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -1.163 1.853 -3.977 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.021 0.133 -3.163 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.607 -0.501 -2.058 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -3.154 -1.787 -2.207 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -3.186 -2.405 -3.457 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -2.679 -1.741 -4.568 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.761 0.180 -0.740 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -2.104 -0.478 -4.423 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -1.851 0.873 -0.150 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.080 0.075 -0.031 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.096 -0.012 1.367 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -5.310 -0.102 2.050 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.511 -0.094 1.341 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.502 0.015 -0.050 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.289 0.106 -0.737 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 22 ATOM 20 O LIG 1 1.453 -1.873 -0.182 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 0.880 -0.821 0.078 0.00 0.00 +0.246 C ATOM 22 N LIG 1 0.209 -0.125 -0.886 0.00 0.00 -0.282 N ATOM 23 H LIG 1 0.213 -0.572 -1.792 0.00 0.00 +0.151 HD BRANCH 21 24 ATOM 24 C LIG 1 0.912 -0.290 1.452 0.00 0.00 +0.041 A ATOM 25 C LIG 1 1.909 0.607 1.869 0.00 0.00 -0.021 A ATOM 26 C LIG 1 1.877 1.054 3.202 0.00 0.00 +0.005 A ATOM 27 C LIG 1 0.889 0.611 4.085 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -0.084 -0.290 3.656 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -0.071 -0.747 2.339 0.00 0.00 +0.013 A BRANCH 25 30 ATOM 30 C LIG 1 3.001 1.105 0.945 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 4.352 0.731 1.396 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 4.556 -0.736 1.317 0.00 0.00 +0.113 C ATOM 33 C LIG 1 6.048 -1.099 1.252 0.00 0.00 +0.175 C ATOM 34 O LIG 1 6.696 -0.594 0.075 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 6.063 0.578 -0.454 0.00 0.00 +0.175 C ATOM 36 C LIG 1 5.400 1.440 0.631 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 5