REMARK Name = BDB034240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.264 0.152 0.124 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -4.762 1.280 0.766 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.325 2.338 0.971 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.384 0.969 1.159 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.074 -0.297 0.675 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.822 -0.839 0.904 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.880 -0.086 1.621 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -1.217 1.191 2.109 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -2.484 1.735 1.873 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -4.237 -0.859 -0.067 0.00 0.00 +0.145 C ENDROOT BRANCH 1 15 ATOM 11 O LIG 1 -9.764 0.204 -2.960 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.751 0.294 -2.271 0.00 0.00 +0.223 C ATOM 13 C LIG 1 -8.562 -0.244 -0.797 0.00 0.00 +0.080 C ATOM 14 C LIG 1 -7.322 -1.186 -0.623 0.00 0.00 +0.048 C ATOM 15 C LIG 1 -6.514 0.165 -0.654 0.00 0.00 +0.116 C ATOM 16 C LIG 1 -6.375 0.755 -2.148 0.00 0.00 +0.243 C ATOM 17 O LIG 1 -5.341 1.018 -2.759 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -7.762 0.730 0.126 0.00 0.00 +0.048 C ATOM 19 N LIG 1 -7.603 0.872 -2.776 0.00 0.00 -0.254 N ATOM 20 H LIG 1 -7.610 1.170 -3.740 0.00 0.00 +0.158 HD ENDBRANCH 1 15 BRANCH 7 21 ATOM 21 O LIG 1 0.318 -0.719 1.802 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 1.450 0.066 2.177 0.00 0.00 +0.190 C ATOM 23 C LIG 1 2.748 -0.632 1.687 0.00 0.00 +0.097 C ATOM 24 C LIG 1 3.794 -0.079 2.659 0.00 0.00 +0.023 C ATOM 25 C LIG 1 3.083 -0.155 4.004 0.00 0.00 +0.005 C ATOM 26 C LIG 1 1.608 0.114 3.705 0.00 0.00 +0.046 C BRANCH 23 27 ATOM 27 N LIG 1 3.024 -0.505 0.252 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 4.193 -1.265 -0.200 0.00 0.00 +0.093 C ATOM 29 C LIG 1 4.389 -0.788 -1.647 0.00 0.00 +0.034 C ATOM 30 C LIG 1 3.695 0.583 -1.700 0.00 0.00 +0.025 C ATOM 31 C LIG 1 3.214 0.841 -0.277 0.00 0.00 +0.085 C BRANCH 29 32 ATOM 32 C LIG 1 5.840 -0.778 -2.077 0.00 0.00 -0.043 A ATOM 33 C LIG 1 6.282 -1.680 -3.056 0.00 0.00 +0.004 A ATOM 34 C LIG 1 7.618 -1.695 -3.462 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.531 -0.811 -2.892 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.109 0.088 -1.916 0.00 0.00 +0.000 A ATOM 37 C LIG 1 6.773 0.104 -1.510 0.00 0.00 +0.004 A ENDBRANCH 29 32 ENDBRANCH 23 27 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 5