REMARK Name = BDB048756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.028 -3.566 0.128 0.00 0.00 +0.088 C ATOM 2 C LIG 1 0.839 -2.537 0.727 0.00 0.00 +0.126 A ATOM 3 C LIG 1 0.790 -1.764 1.868 0.00 0.00 +0.086 A ATOM 4 N LIG 1 1.893 -0.940 1.910 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 2.564 -1.234 0.811 0.00 0.00 +0.228 A ATOM 6 O LIG 1 1.973 -2.204 0.043 0.00 0.00 -0.440 OA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.821 -0.677 0.320 0.00 0.00 +0.037 A ATOM 8 C LIG 1 4.480 0.310 1.065 0.00 0.00 +0.014 A ATOM 9 C LIG 1 5.686 0.863 0.618 0.00 0.00 +0.009 A ATOM 10 C LIG 1 6.271 0.447 -0.587 0.00 0.00 -0.018 A ATOM 11 C LIG 1 5.608 -0.542 -1.330 0.00 0.00 +0.009 A ATOM 12 C LIG 1 4.401 -1.096 -0.884 0.00 0.00 +0.014 A BRANCH 10 13 ATOM 13 C LIG 1 7.539 1.028 -1.057 0.00 0.00 -0.018 A ATOM 14 C LIG 1 8.631 0.210 -1.391 0.00 0.00 +0.008 A ATOM 15 C LIG 1 9.836 0.761 -1.837 0.00 0.00 +0.001 A ATOM 16 C LIG 1 9.968 2.142 -1.958 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.898 2.971 -1.634 0.00 0.00 +0.001 A ATOM 18 C LIG 1 7.694 2.419 -1.187 0.00 0.00 +0.008 A ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 C LIG 1 -0.231 -1.725 2.950 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 -1.456 -0.897 2.565 0.00 0.00 +0.235 C BRANCH 20 21 ATOM 21 O LIG 1 -2.268 -1.665 1.671 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.410 -1.073 1.201 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -3.861 0.207 1.528 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -5.049 0.654 0.965 0.00 0.00 -0.040 A ATOM 25 C LIG 1 -5.701 1.989 1.145 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -7.121 1.695 0.638 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -7.000 0.579 -0.426 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -5.777 -0.142 0.075 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -5.340 -1.411 -0.259 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.152 -1.873 0.313 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 -6.787 1.113 -1.840 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 -8.057 1.697 -2.385 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -8.339 2.881 -2.443 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.922 0.760 -2.814 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -9.691 1.274 -3.140 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 9