REMARK Name = BDB004892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.079 0.164 0.540 0.00 0.00 +0.103 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 2.405 -1.035 -0.577 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.387 -0.320 0.070 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.029 -0.601 -0.167 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -0.296 -1.626 -1.065 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.710 -2.345 -1.709 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.054 -2.050 -1.466 0.00 0.00 +0.023 A BRANCH 2 10 ATOM 8 O LIG 1 4.980 -2.138 -1.586 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.893 -1.212 -0.787 0.00 0.00 +0.250 C ATOM 10 N LIG 1 3.734 -0.669 -0.278 0.00 0.00 -0.282 N ATOM 11 H LIG 1 3.837 0.100 0.374 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 6.144 -0.612 -0.253 0.00 0.00 +0.083 C ATOM 13 C LIG 1 7.306 -1.552 -0.099 0.00 0.00 +0.208 C ATOM 14 F LIG 1 7.159 -2.240 1.077 0.00 0.00 -0.240 F ATOM 15 C LIG 1 8.683 -0.855 -0.049 0.00 0.00 +0.069 C ATOM 16 C LIG 1 8.641 0.559 0.473 0.00 0.00 -0.021 C ATOM 17 C LIG 1 7.499 1.260 0.509 0.00 0.00 +0.035 C ATOM 18 C LIG 1 6.264 0.693 0.030 0.00 0.00 +0.134 C ATOM 19 F LIG 1 5.221 1.540 -0.099 0.00 0.00 -0.205 F ENDBRANCH 9 12 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -0.788 1.600 0.516 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -0.960 2.072 1.398 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.154 2.428 -0.519 0.00 0.00 +0.121 C ATOM 23 C LIG 1 -1.185 1.925 -1.926 0.00 0.00 +0.039 C ATOM 24 C LIG 1 -2.229 1.919 -2.768 0.00 0.00 -0.023 C ATOM 25 C LIG 1 -3.675 2.318 -2.600 0.00 0.00 +0.031 C ATOM 26 C LIG 1 -4.346 2.206 -1.222 0.00 0.00 +0.033 C ATOM 27 C LIG 1 -4.494 3.425 -0.351 0.00 0.00 -0.007 C ATOM 28 C LIG 1 -3.885 4.617 -0.410 0.00 0.00 +0.108 C ATOM 29 N LIG 1 -2.941 5.014 -1.313 0.00 0.00 -0.244 NA ATOM 30 C LIG 1 -1.745 4.536 -1.159 0.00 0.00 +0.223 C ATOM 31 N LIG 1 -1.398 3.659 -0.167 0.00 0.00 -0.221 NA ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 32 ATOM 32 C LIG 1 -1.245 -0.290 2.005 0.00 0.00 +0.042 C BRANCH 32 33 ATOM 33 C LIG 1 -1.737 -1.736 2.162 0.00 0.00 +0.086 C BRANCH 33 34 ATOM 34 N LIG 1 -3.004 -1.993 1.473 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 -3.369 -3.411 1.510 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -4.822 -3.398 1.065 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.347 -2.025 1.468 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -4.150 -1.297 2.064 0.00 0.00 +0.084 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8