REMARK Name = BDB024154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.980 1.347 0.708 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.223 2.033 1.840 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.637 1.284 2.659 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.333 1.889 3.708 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.172 3.250 3.959 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.311 4.005 3.165 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.386 3.401 2.116 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.183 2.022 -1.478 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.108 2.650 -2.266 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.865 2.154 -0.619 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.741 2.975 -0.939 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.593 -0.386 -1.401 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.585 -0.455 -0.443 0.00 0.00 +0.136 A ATOM 14 N LIG 1 1.461 0.308 -0.432 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.307 1.200 -1.420 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.246 1.335 -2.437 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.391 0.535 -2.425 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.575 -2.067 -1.052 0.00 0.00 +0.152 C ATOM 19 C LIG 1 6.015 -0.943 -1.945 0.00 0.00 +0.138 C ATOM 20 N LIG 1 4.729 -1.212 -1.362 0.00 0.00 -0.324 N ATOM 21 C LIG 1 5.313 -1.823 -0.201 0.00 0.00 +0.138 C BRANCH 18 23 ATOM 22 C LIG 1 8.314 -2.809 0.470 0.00 0.00 +0.194 C ATOM 23 O LIG 1 7.857 -1.809 -0.430 0.00 0.00 -0.377 OA ENDBRANCH 18 23 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.419 1.230 1.095 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.833 2.153 0.938 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.125 0.244 0.269 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.631 0.179 0.617 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -4.877 -0.243 2.071 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -5.366 -0.736 -0.356 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.144 -2.121 -0.375 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.822 -2.940 -1.282 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.730 -2.383 -2.187 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.956 -1.005 -2.180 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.277 -0.187 -1.272 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.424 -3.222 -3.119 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.984 -3.902 -3.875 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10