REMARK Name = BDB041984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.339 -1.972 2.705 0.00 0.00 +0.120 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.389 -0.630 -0.422 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.854 -1.848 -0.824 0.00 0.00 +0.251 C ATOM 4 O LIG 1 5.274 -2.582 -1.696 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.669 -2.082 0.004 0.00 0.00 +0.077 A ATOM 6 C LIG 1 3.484 -0.968 0.822 0.00 0.00 -0.015 A ATOM 7 C LIG 1 2.417 -0.915 1.706 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.523 -2.004 1.760 0.00 0.00 -0.030 A ATOM 9 C LIG 1 1.744 -3.127 0.930 0.00 0.00 +0.044 A ATOM 10 C LIG 1 2.820 -3.163 0.044 0.00 0.00 +0.136 A ATOM 11 F LIG 1 3.002 -4.236 -0.734 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.545 0.046 0.554 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 8.504 3.320 -2.579 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 7.945 2.284 -2.229 0.00 0.00 +0.219 C ATOM 15 N LIG 1 6.747 1.906 -2.780 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.346 2.587 -3.412 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 5.830 1.069 -2.186 0.00 0.00 +0.240 C ATOM 18 O LIG 1 4.633 1.178 -2.442 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.421 0.048 -1.198 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.448 0.752 -0.316 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.535 1.357 -1.192 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.900 -1.383 2.220 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 -0.865 0.002 1.704 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -2.296 0.587 1.853 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.107 -0.181 0.857 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -2.073 -1.026 0.187 0.00 0.00 +0.073 C ATOM 27 C LIG 1 -0.822 -0.163 0.194 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -1.643 -2.138 1.186 0.00 0.00 +0.104 C BRANCH 25 29 ATOM 29 C LIG 1 -3.862 0.696 -0.072 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.830 1.643 0.651 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -4.981 2.966 0.198 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.867 3.840 0.831 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.619 3.405 1.920 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.489 2.095 2.376 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.604 1.220 1.744 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.619 -0.097 -1.144 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -5.399 -1.220 -0.816 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.088 -1.925 -1.804 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.012 -1.516 -3.133 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.249 -0.402 -3.476 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.559 0.305 -2.490 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6