REMARK Name = BDB019627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.238 -0.841 0.531 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.284 0.286 1.179 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.567 0.764 0.866 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.319 0.083 -0.106 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.818 -1.057 -0.755 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.537 -1.516 -0.420 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.118 1.942 1.550 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.478 3.090 0.835 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -2.995 4.189 1.516 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -3.377 5.429 0.764 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -3.168 4.199 2.857 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -2.822 3.084 3.534 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -2.299 1.950 2.936 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.522 -0.455 1.288 0.00 0.00 -0.307 N ATOM 15 H LIG 1 2.328 0.530 1.175 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 1.595 -1.371 0.840 0.00 0.00 +0.244 C ATOM 17 O LIG 1 1.844 -2.557 0.656 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.909 -0.822 1.479 0.00 0.00 +0.140 C BRANCH 18 23 ATOM 19 C LIG 1 5.461 -0.938 -1.995 0.00 0.00 +0.124 A ATOM 20 C LIG 1 6.187 0.255 -2.000 0.00 0.00 +0.091 A ATOM 21 C LIG 1 6.195 1.103 -0.889 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.460 0.750 0.243 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.729 -0.449 0.270 0.00 0.00 -0.023 A ATOM 24 C LIG 1 4.733 -1.285 -0.858 0.00 0.00 +0.051 A BRANCH 19 26 ATOM 25 C LIG 1 4.834 -2.899 -3.183 0.00 0.00 +0.277 C ATOM 26 O LIG 1 5.542 -1.665 -3.151 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 6.946 2.236 -1.040 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 7.052 3.096 0.086 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -2.662 -1.811 -1.753 0.00 0.00 +0.138 C BRANCH 29 30 ATOM 30 N LIG 1 -3.403 -2.856 -1.089 0.00 0.00 -0.329 N ATOM 31 H LIG 1 -2.834 -3.487 -0.531 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.663 -2.733 -0.584 0.00 0.00 +0.090 C ATOM 33 C LIG 1 -5.662 -1.738 -1.103 0.00 0.00 +0.073 C ATOM 34 C LIG 1 -6.931 -2.367 -0.581 0.00 0.00 +0.031 C ATOM 35 C LIG 1 -6.453 -3.061 0.679 0.00 0.00 +0.143 C ATOM 36 N LIG 1 -5.068 -3.484 0.397 0.00 0.00 -0.273 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9