REMARK Name = BDB011561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.657 -0.702 -0.692 0.00 0.00 +0.197 C ATOM 2 C LIG 1 1.503 -0.465 -1.651 0.00 0.00 +0.244 C ATOM 3 O LIG 1 1.649 0.344 -2.580 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.311 -1.153 -1.441 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.092 -2.143 -0.413 0.00 0.00 +0.079 A ATOM 6 C LIG 1 0.711 -2.176 0.853 0.00 0.00 +0.142 A ATOM 7 C LIG 1 0.391 -3.198 1.770 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -0.520 -4.200 1.464 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -1.118 -4.202 0.218 0.00 0.00 +0.002 A ATOM 10 O LIG 1 1.616 -1.321 1.414 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -0.808 -3.195 -0.701 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.131 -0.241 0.657 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.053 -0.043 -0.633 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.794 0.094 -1.162 0.00 0.00 -0.300 N ATOM 15 H LIG 1 3.640 0.656 -1.996 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 5.299 -0.799 0.304 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 6.130 0.828 -1.313 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.616 0.108 -2.567 0.00 0.00 +0.034 C BRANCH 17 19 ATOM 19 N LIG 1 7.277 1.040 -0.409 0.00 0.00 -0.306 NA ATOM 20 H LIG 1 7.346 0.216 0.198 0.00 0.00 +0.123 HD BRANCH 19 22 ATOM 21 C LIG 1 6.075 2.173 1.489 0.00 0.00 +0.020 C ATOM 22 C LIG 1 7.157 2.238 0.422 0.00 0.00 +0.078 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 23 ATOM 23 C LIG 1 -0.837 -0.718 -2.263 0.00 0.00 +0.149 C BRANCH 23 24 ATOM 24 C LIG 1 -1.736 0.248 -1.508 0.00 0.00 -0.019 A ATOM 25 C LIG 1 -3.009 -0.101 -0.991 0.00 0.00 +0.025 A ATOM 26 C LIG 1 -3.799 -1.267 -0.981 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -4.948 -1.115 -0.332 0.00 0.00 -0.174 NA ATOM 28 N LIG 1 -4.952 0.175 0.073 0.00 0.00 -0.231 N ATOM 29 C LIG 1 -3.769 0.832 -0.279 0.00 0.00 +0.075 A ATOM 30 C LIG 1 -3.270 2.118 0.001 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -2.027 2.470 -0.521 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -1.284 1.564 -1.269 0.00 0.00 +0.006 A BRANCH 28 33 ATOM 33 C LIG 1 -6.119 0.701 0.701 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -6.958 -0.113 1.491 0.00 0.00 +0.077 A ATOM 35 C LIG 1 -8.120 0.444 2.055 0.00 0.00 +0.021 A ATOM 36 C LIG 1 -8.455 1.780 1.837 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.634 2.577 1.048 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -6.475 2.044 0.479 0.00 0.00 +0.029 A BRANCH 34 39 ATOM 39 C LIG 1 -6.668 -1.480 1.836 0.00 0.00 +0.101 C ATOM 40 N LIG 1 -6.493 -2.571 2.191 0.00 0.00 -0.191 NA ENDBRANCH 34 39 ENDBRANCH 28 33 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8