REMARK Name = BDB016754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.287 -0.300 -2.303 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.293 0.964 -1.684 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.151 1.380 -0.989 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.999 0.612 -0.883 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.104 1.401 -0.093 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.649 2.586 0.221 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.974 -0.636 -1.534 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.881 2.532 -0.305 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.495 3.326 -0.171 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.114 -1.068 -2.231 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.976 -0.839 1.483 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.398 -1.113 0.235 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.124 -0.871 -0.922 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.829 -1.048 -2.385 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.500 -0.786 -3.064 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.109 -0.627 -3.070 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.990 -0.233 -2.078 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.925 0.088 -2.277 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.303 -0.637 -4.274 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.011 -2.202 -2.890 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.430 -0.375 -0.807 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.032 -0.096 0.401 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.287 -0.332 1.560 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.679 -0.835 3.846 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.163 -1.111 2.550 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.228 1.070 0.322 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.692 -0.156 0.618 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -3.024 -0.478 1.043 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -4.119 0.424 1.215 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -5.279 -0.210 1.623 0.00 0.00 +0.004 A ATOM 31 S LIG 1 -5.032 -1.895 1.819 0.00 0.00 -0.100 S ATOM 32 C LIG 1 -3.395 -1.773 1.341 0.00 0.00 +0.053 A BRANCH 30 33 ATOM 33 C LIG 1 -6.623 0.403 1.913 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 N LIG 1 -7.624 0.080 0.886 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -7.393 0.769 -0.402 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -8.293 1.998 -0.611 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -9.693 1.693 -0.561 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -9.991 0.545 0.246 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -8.986 0.356 1.390 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6