REMARK Name = BDB015002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.004 1.589 2.247 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -0.854 2.061 1.236 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.190 1.650 1.173 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.704 0.757 2.112 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.872 0.283 3.124 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.532 0.696 3.190 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 3.210 2.993 1.728 0.00 0.00 -0.267 N ATOM 8 N LIG 1 1.929 2.816 1.357 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 1.397 2.027 2.307 0.00 0.00 +0.093 A ATOM 10 C LIG 1 2.375 1.732 3.299 0.00 0.00 +0.049 A ATOM 11 C LIG 1 3.523 2.373 2.901 0.00 0.00 +0.109 A BRANCH 7 12 ATOM 12 C LIG 1 4.094 3.822 0.919 0.00 0.00 +0.178 C BRANCH 12 16 ATOM 13 C LIG 1 6.725 1.414 -1.504 0.00 0.00 +0.037 A ATOM 14 C LIG 1 5.369 1.504 -1.827 0.00 0.00 +0.013 A ATOM 15 C LIG 1 4.519 2.279 -1.036 0.00 0.00 +0.006 A ATOM 16 C LIG 1 5.020 2.985 0.071 0.00 0.00 -0.026 A ATOM 17 C LIG 1 6.389 2.904 0.370 0.00 0.00 +0.006 A ATOM 18 C LIG 1 7.241 2.126 -0.418 0.00 0.00 +0.013 A BRANCH 13 20 ATOM 19 O LIG 1 7.635 0.835 -3.568 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 7.609 0.596 -2.364 0.00 0.00 +0.247 C ATOM 21 N LIG 1 8.352 -0.407 -1.772 0.00 0.00 -0.298 N ATOM 22 C LIG 1 9.225 -1.245 -2.575 0.00 0.00 +0.108 C ATOM 23 C LIG 1 9.908 -2.153 -1.563 0.00 0.00 +0.020 C ATOM 24 C LIG 1 8.838 -2.324 -0.493 0.00 0.00 +0.020 C ATOM 25 C LIG 1 8.196 -0.943 -0.427 0.00 0.00 +0.108 C ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 9 BRANCH 4 26 ATOM 26 O LIG 1 -4.022 0.443 1.942 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.544 -0.629 2.723 0.00 0.00 +0.261 C BRANCH 27 28 ATOM 28 C LIG 1 -5.990 -0.946 2.308 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 O LIG 1 -6.602 -1.749 3.334 0.00 0.00 -0.387 OA ATOM 30 H LIG 1 -6.153 -2.612 3.345 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -6.107 -1.704 0.959 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -5.562 -1.040 -0.233 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -5.599 -1.920 -1.415 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -6.957 -2.054 -2.071 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -7.945 -1.068 -1.894 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -9.182 -1.197 -2.540 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -9.430 -2.286 -3.375 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.447 -3.254 -3.568 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.700 0.094 -0.962 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -7.215 -3.138 -2.923 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.223 0.234 -0.565 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 10