REMARK Name = BDB064999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.382 2.166 0.059 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -0.935 1.331 -0.913 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -2.316 1.046 -0.868 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -3.174 0.231 -1.671 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -4.433 0.349 -1.127 0.00 0.00 +0.084 A ATOM 6 C LIG 1 -5.558 -0.297 -1.611 0.00 0.00 +0.096 A ATOM 7 C LIG 1 -6.825 -0.076 -0.913 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -6.856 0.783 0.219 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -5.581 1.439 0.674 0.00 0.00 +0.264 A ATOM 10 O LIG 1 -5.545 2.174 1.655 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -8.047 1.022 0.916 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -9.223 0.406 0.492 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -9.211 -0.443 -0.615 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -8.022 -0.683 -1.313 0.00 0.00 +0.011 A ATOM 15 N LIG 1 -5.424 -1.102 -2.689 0.00 0.00 -0.253 NA ATOM 16 C LIG 1 -4.191 -1.232 -3.244 0.00 0.00 +0.112 A ATOM 17 N LIG 1 -4.394 1.190 -0.041 0.00 0.00 -0.274 N ATOM 18 C LIG 1 -3.032 -0.602 -2.791 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -3.096 1.636 0.142 0.00 0.00 +0.058 A ATOM 20 C LIG 1 -2.541 2.505 1.100 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -1.170 2.765 1.037 0.00 0.00 +0.048 A ENDROOT BRANCH 1 22 ATOM 22 O LIG 1 0.959 2.445 0.013 0.00 0.00 -0.480 OA BRANCH 22 23 ATOM 23 C LIG 1 1.699 1.534 0.834 0.00 0.00 +0.255 C ATOM 24 C LIG 1 2.890 2.311 1.393 0.00 0.00 +0.062 C BRANCH 23 27 ATOM 25 N LIG 1 2.692 -0.711 0.872 0.00 0.00 -0.308 N ATOM 26 H LIG 1 2.803 -0.541 1.862 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 2.216 0.303 0.059 0.00 0.00 +0.254 C ATOM 28 O LIG 1 2.210 0.218 -1.168 0.00 0.00 -0.272 OA BRANCH 25 29 ATOM 29 C LIG 1 3.364 -1.870 0.325 0.00 0.00 +0.139 C BRANCH 29 33 ATOM 30 C LIG 1 7.641 -1.361 0.727 0.00 0.00 +0.120 A ATOM 31 C LIG 1 6.937 -2.174 1.620 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.556 -2.351 1.492 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.857 -1.718 0.458 0.00 0.00 -0.030 A ATOM 34 C LIG 1 5.567 -0.901 -0.435 0.00 0.00 +0.009 A ATOM 35 C LIG 1 6.949 -0.723 -0.302 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 9.742 -0.445 0.095 0.00 0.00 +0.277 C ATOM 37 O LIG 1 8.985 -1.276 0.968 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 25 29 ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 6