REMARK Name = BDB004799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.382 -3.181 0.856 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -0.379 -3.373 1.997 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 0.818 -1.598 -1.893 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.329 -1.977 -0.633 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.829 -2.761 -0.498 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.501 -3.155 -1.667 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -1.024 -2.782 -2.922 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.131 -2.007 -3.035 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 2.687 -0.381 -3.031 0.00 0.00 +0.250 C ATOM 10 N LIG 1 1.982 -0.800 -1.917 0.00 0.00 -0.281 N ATOM 11 H LIG 1 2.367 -0.580 -1.007 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.483 -0.697 -4.196 0.00 0.00 -0.270 OA BRANCH 9 16 ATOM 13 C LIG 1 5.933 2.183 -2.201 0.00 0.00 +0.214 A ATOM 14 N LIG 1 4.809 2.321 -1.462 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 3.780 1.491 -1.764 0.00 0.00 +0.127 A ATOM 16 C LIG 1 3.835 0.511 -2.747 0.00 0.00 +0.055 A ATOM 17 C LIG 1 5.004 0.407 -3.502 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.074 1.254 -3.222 0.00 0.00 +0.068 A BRANCH 13 20 ATOM 19 C LIG 1 6.793 3.949 -0.930 0.00 0.00 +0.279 C ATOM 20 O LIG 1 7.024 2.993 -1.958 0.00 0.00 -0.480 OA ENDBRANCH 13 20 ENDBRANCH 9 16 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -2.552 -2.381 1.243 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -3.246 -2.413 0.501 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.430 -1.041 1.654 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -3.595 -0.335 2.034 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -3.428 1.012 2.412 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -4.583 1.738 2.777 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -5.857 1.137 2.777 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -6.009 -0.193 2.422 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -2.197 1.568 2.423 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -1.161 0.798 2.078 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -4.887 -0.922 2.056 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -1.218 -0.477 1.700 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -4.553 3.177 3.188 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -5.576 3.776 3.507 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -3.355 3.826 3.203 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -3.325 4.794 3.487 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -2.497 3.342 2.954 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7