REMARK Name = BDB019773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.002 0.594 -1.564 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.923 1.497 -2.107 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.211 1.635 -1.565 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.547 0.832 -0.461 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.633 -0.081 0.097 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.358 -0.202 -0.472 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.176 2.592 -2.135 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -3.887 3.482 -1.319 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -4.777 4.388 -1.892 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.547 5.338 -1.025 0.00 0.00 +0.065 C ATOM 11 N LIG 1 -5.003 4.443 -3.223 0.00 0.00 -0.260 NA ATOM 12 C LIG 1 -4.318 3.580 -4.001 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -3.410 2.655 -3.513 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.385 0.154 -1.361 0.00 0.00 -0.307 N ATOM 15 H LIG 1 2.256 0.213 -0.361 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 1.345 0.497 -2.196 0.00 0.00 +0.244 C ATOM 17 O LIG 1 1.490 0.751 -3.385 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.744 0.165 -1.852 0.00 0.00 +0.139 C BRANCH 18 22 ATOM 19 C LIG 1 6.956 1.336 1.849 0.00 0.00 +0.044 C ATOM 20 C LIG 1 6.249 0.303 1.022 0.00 0.00 -0.050 A ATOM 21 C LIG 1 5.374 0.694 0.001 0.00 0.00 +0.008 A ATOM 22 C LIG 1 4.698 -0.263 -0.770 0.00 0.00 -0.030 A ATOM 23 C LIG 1 4.884 -1.623 -0.485 0.00 0.00 +0.008 A ATOM 24 C LIG 1 5.730 -2.030 0.553 0.00 0.00 -0.050 A ATOM 25 C LIG 1 5.941 -3.489 0.838 0.00 0.00 +0.044 C ATOM 26 C LIG 1 6.415 -1.060 1.295 0.00 0.00 +0.006 A ENDBRANCH 18 22 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 27 ATOM 27 C LIG 1 -2.038 -0.945 1.268 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 N LIG 1 -2.948 -1.978 0.821 0.00 0.00 -0.313 N ATOM 29 H LIG 1 -2.688 -2.364 -0.083 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.341 -2.977 1.639 0.00 0.00 +0.176 C ATOM 31 N LIG 1 -3.645 -2.663 2.924 0.00 0.00 -0.316 N ATOM 32 H LIG 1 -4.172 -1.802 3.007 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -4.295 -3.827 3.495 0.00 0.00 +0.127 C ATOM 34 C LIG 1 -3.904 -4.920 2.496 0.00 0.00 +0.163 C ATOM 35 N LIG 1 -3.469 -4.214 1.258 0.00 0.00 -0.255 NA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7