REMARK Name = BDB006334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.978 -2.623 -2.085 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.383 -1.299 -1.751 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.955 -0.295 -0.909 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.062 0.777 -0.859 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.326 1.926 -0.092 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.525 1.986 0.624 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.444 0.937 0.575 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.024 0.439 -1.651 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.160 -0.214 -0.176 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.834 -0.812 -2.207 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.828 -1.459 -3.111 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.705 1.067 1.358 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.810 0.442 0.827 0.00 0.00 -0.302 N ATOM 14 H LIG 1 -4.725 0.001 -0.079 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.711 1.726 2.390 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.151 0.416 1.437 0.00 0.00 +0.054 C ATOM 17 C LIG 1 -6.074 -0.306 2.801 0.00 0.00 +0.036 C ATOM 18 C LIG 1 -6.686 1.844 1.691 0.00 0.00 +0.036 C BRANCH 16 19 ATOM 19 C LIG 1 -7.085 -0.295 0.429 0.00 0.00 -0.025 A ATOM 20 C LIG 1 -7.697 -1.533 0.692 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -8.519 -2.150 -0.257 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -8.743 -1.548 -1.491 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -8.143 -0.328 -1.781 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.322 0.289 -0.834 0.00 0.00 +0.006 A ENDBRANCH 16 19 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 2.173 1.312 -1.899 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.412 0.885 -1.148 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.400 0.711 0.243 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.564 0.350 0.927 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.773 0.164 0.242 0.00 0.00 -0.017 A ATOM 30 C LIG 1 5.785 0.344 -1.149 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.621 0.706 -1.835 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.992 -0.234 0.961 0.00 0.00 -0.004 A ATOM 33 C LIG 1 8.082 0.632 1.191 0.00 0.00 +0.067 A ATOM 34 C LIG 1 9.231 0.161 1.853 0.00 0.00 +0.015 A ATOM 35 C LIG 1 9.306 -1.160 2.292 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.236 -2.022 2.078 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.093 -1.563 1.419 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 8.035 2.061 0.786 0.00 0.00 +0.337 C ATOM 39 O LIG 1 7.069 2.796 0.751 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 9.254 2.509 0.421 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 9.085 3.442 0.171 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 8