REMARK Name = BDB060687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.150 2.977 -0.551 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.826 3.488 -0.416 0.00 0.00 +0.117 A ATOM 3 C LIG 1 -1.908 4.854 -0.650 0.00 0.00 +0.154 A ATOM 4 C LIG 1 -0.803 5.689 -0.599 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.402 5.053 -0.293 0.00 0.00 +0.032 A ATOM 6 C LIG 1 0.433 3.673 -0.064 0.00 0.00 +0.075 A ATOM 7 O LIG 1 -3.187 5.215 -0.926 0.00 0.00 -0.461 OA ATOM 8 N LIG 1 -0.657 2.866 -0.118 0.00 0.00 -0.243 NA ATOM 9 C LIG 1 -3.930 4.076 -0.869 0.00 0.00 +0.206 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.640 -1.054 -0.207 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -3.324 -0.788 -0.616 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -2.844 0.525 -0.725 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -3.663 1.619 -0.431 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -4.974 1.368 -0.018 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -5.452 0.056 0.090 0.00 0.00 +0.005 A BRANCH 10 17 ATOM 16 C LIG 1 -4.183 -3.586 -0.445 0.00 0.00 +0.015 C ATOM 17 C LIG 1 -5.199 -2.481 -0.076 0.00 0.00 -0.013 C ATOM 18 C LIG 1 -5.638 -2.733 1.383 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -6.416 -2.650 -1.010 0.00 0.00 +0.015 C ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 C LIG 1 1.686 3.003 0.256 0.00 0.00 +0.038 A ATOM 21 C LIG 1 1.796 1.669 0.601 0.00 0.00 +0.118 A ATOM 22 N LIG 1 3.119 1.431 0.823 0.00 0.00 -0.270 N ATOM 23 N LIG 1 3.894 2.519 0.647 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 3.020 3.470 0.304 0.00 0.00 +0.144 A BRANCH 22 25 ATOM 25 C LIG 1 3.723 0.171 1.216 0.00 0.00 +0.159 C BRANCH 25 26 ATOM 26 C LIG 1 4.415 -0.511 0.029 0.00 0.00 +0.108 C BRANCH 26 27 ATOM 27 N LIG 1 4.947 -1.852 0.348 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 5.445 -2.540 -0.866 0.00 0.00 +0.112 C ATOM 29 C LIG 1 6.971 -2.461 -1.034 0.00 0.00 +0.175 C ATOM 30 O LIG 1 7.688 -3.043 0.062 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 6.963 -2.994 1.298 0.00 0.00 +0.175 C ATOM 32 C LIG 1 6.011 -1.790 1.378 0.00 0.00 +0.112 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 6 20 TORSDOF 6