REMARK Name = BDB001544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.898 2.492 -1.979 0.00 0.00 -0.297 N ATOM 2 H LIG 1 0.587 2.727 -2.917 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.289 2.208 -1.985 0.00 0.00 +0.164 A ATOM 4 C LIG 1 3.104 2.976 -2.798 0.00 0.00 +0.181 A ATOM 5 F LIG 1 2.609 3.931 -3.598 0.00 0.00 -0.200 F ATOM 6 C LIG 1 4.445 2.703 -2.767 0.00 0.00 +0.156 A ATOM 7 N LIG 1 4.981 1.741 -1.993 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 4.140 1.034 -1.223 0.00 0.00 +0.221 A ATOM 9 N LIG 1 2.811 1.245 -1.197 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 4.582 0.015 -0.387 0.00 0.00 -0.284 N ATOM 11 H LIG 1 3.787 -0.385 0.090 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 5.834 -0.533 -0.090 0.00 0.00 +0.034 A ATOM 13 C LIG 1 5.900 -1.600 0.823 0.00 0.00 +0.027 A ATOM 14 C LIG 1 7.118 -2.195 1.162 0.00 0.00 +0.047 A ATOM 15 C LIG 1 8.291 -1.727 0.589 0.00 0.00 +0.117 A ATOM 16 C LIG 1 8.261 -0.675 -0.316 0.00 0.00 +0.047 A ATOM 17 C LIG 1 7.036 -0.085 -0.651 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 9.460 -2.331 0.944 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 10.187 -1.895 0.470 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 -2.260 1.021 0.428 0.00 0.00 +0.037 A ATOM 21 C LIG 1 -0.952 1.005 0.917 0.00 0.00 +0.015 A ATOM 22 C LIG 1 0.102 1.478 0.126 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -0.124 1.968 -1.165 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -1.452 2.024 -1.623 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -2.512 1.551 -0.841 0.00 0.00 +0.015 A BRANCH 20 28 ATOM 26 N LIG 1 -4.359 -0.164 0.626 0.00 0.00 -0.281 N ATOM 27 H LIG 1 -4.210 -0.346 -0.357 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -3.356 0.510 1.298 0.00 0.00 +0.248 C ATOM 29 O LIG 1 -3.269 0.690 2.507 0.00 0.00 -0.270 OA BRANCH 26 33 ATOM 30 C LIG 1 -8.459 -2.759 -0.188 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.562 -2.022 0.761 0.00 0.00 -0.049 A ATOM 32 C LIG 1 -6.372 -1.434 0.305 0.00 0.00 +0.026 A ATOM 33 C LIG 1 -5.536 -0.718 1.174 0.00 0.00 +0.034 A ATOM 34 C LIG 1 -5.913 -0.579 2.509 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -7.104 -1.148 2.970 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -7.927 -1.861 2.101 0.00 0.00 +0.003 A ENDBRANCH 26 33 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 7