REMARK Name = BDB015190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.184 -2.594 -1.622 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.255 -1.189 -1.277 0.00 0.00 -0.014 A ATOM 3 C LIG 1 1.970 -1.630 -0.907 0.00 0.00 +0.054 A ATOM 4 C LIG 1 1.084 -2.144 -1.855 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.478 -2.202 -3.194 0.00 0.00 +0.045 A ATOM 6 C LIG 1 2.745 -1.770 -3.582 0.00 0.00 +0.004 A ATOM 7 C LIG 1 3.628 -1.268 -2.628 0.00 0.00 +0.009 A BRANCH 2 14 ATOM 8 C LIG 1 6.010 3.527 0.016 0.00 0.00 +0.150 C ATOM 9 N LIG 1 6.150 2.345 0.828 0.00 0.00 -0.333 N ATOM 10 C LIG 1 5.531 1.139 0.613 0.00 0.00 +0.069 A ATOM 11 C LIG 1 5.973 0.343 1.665 0.00 0.00 +0.089 A ATOM 12 C LIG 1 5.518 -0.978 1.764 0.00 0.00 +0.030 A ATOM 13 C LIG 1 4.626 -1.458 0.793 0.00 0.00 +0.011 A ATOM 14 C LIG 1 4.186 -0.652 -0.272 0.00 0.00 -0.016 A ATOM 15 N LIG 1 6.837 1.036 2.479 0.00 0.00 -0.236 NA ATOM 16 C LIG 1 4.644 0.676 -0.369 0.00 0.00 +0.036 A ATOM 17 C LIG 1 6.920 2.235 1.950 0.00 0.00 +0.200 A ENDBRANCH 2 14 ENDBRANCH 1 4 BRANCH 1 18 ATOM 18 C LIG 1 -0.603 -2.843 -0.276 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -1.454 -1.695 0.297 0.00 0.00 +0.169 C BRANCH 19 20 ATOM 20 O LIG 1 -0.582 -0.672 0.790 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -1.146 0.114 0.973 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -2.439 -1.134 -0.753 0.00 0.00 +0.142 C BRANCH 22 23 ATOM 23 N LIG 1 -3.671 -0.577 -0.166 0.00 0.00 -0.295 N ATOM 24 C LIG 1 -3.585 0.592 0.598 0.00 0.00 +0.247 C ATOM 25 O LIG 1 -2.514 1.074 0.956 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -4.862 1.254 0.992 0.00 0.00 +0.040 A ATOM 27 C LIG 1 -6.097 0.637 0.737 0.00 0.00 -0.034 A ATOM 28 C LIG 1 -7.280 1.266 1.147 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.231 2.507 1.784 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.005 3.123 2.027 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.130 -0.714 0.085 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -4.821 2.497 1.636 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.930 -0.880 -0.840 0.00 0.00 +0.113 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7