REMARK Name = BDB039370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.284 -0.828 -0.454 0.00 0.00 +0.036 A ATOM 2 C LIG 1 1.083 0.314 -0.657 0.00 0.00 +0.138 A ATOM 3 F LIG 1 0.581 1.423 -1.220 0.00 0.00 -0.204 F ATOM 4 C LIG 1 2.414 0.309 -0.289 0.00 0.00 +0.018 A ATOM 5 C LIG 1 3.438 1.376 -0.430 0.00 0.00 +0.147 C ATOM 6 N LIG 1 4.604 0.780 0.212 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.386 -0.542 0.557 0.00 0.00 +0.248 C ATOM 8 O LIG 1 5.183 -1.356 0.976 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.974 -0.826 0.281 0.00 0.00 +0.044 A ATOM 10 C LIG 1 2.252 -1.981 0.497 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.903 -1.972 0.124 0.00 0.00 +0.013 A ENDROOT BRANCH 1 18 ATOM 12 C LIG 1 -2.886 -4.497 -2.361 0.00 0.00 +0.150 C ATOM 13 N LIG 1 -3.517 -3.221 -2.125 0.00 0.00 -0.335 N ATOM 14 C LIG 1 -2.868 -2.118 -1.632 0.00 0.00 +0.141 A ATOM 15 C LIG 1 -3.794 -1.084 -1.546 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -3.350 0.163 -1.063 0.00 0.00 -0.021 A ATOM 17 C LIG 1 -1.990 0.235 -0.701 0.00 0.00 +0.034 A ATOM 18 C LIG 1 -1.145 -0.872 -0.835 0.00 0.00 +0.076 A ATOM 19 C LIG 1 -5.037 -1.610 -1.999 0.00 0.00 +0.029 A ATOM 20 N LIG 1 -1.564 -2.074 -1.298 0.00 0.00 -0.229 NA ATOM 21 C LIG 1 -4.836 -2.928 -2.353 0.00 0.00 +0.088 A BRANCH 16 22 ATOM 22 C LIG 1 -4.244 1.372 -0.916 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -5.161 1.268 0.220 0.00 0.00 -0.298 NA ATOM 24 C LIG 1 -4.494 1.314 1.522 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -5.633 1.607 2.489 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -6.718 2.265 1.643 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -6.122 2.371 0.249 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 18 BRANCH 6 28 ATOM 28 C LIG 1 5.904 1.442 0.174 0.00 0.00 +0.163 C ATOM 29 C LIG 1 6.777 0.829 -0.922 0.00 0.00 +0.240 C ATOM 30 O LIG 1 6.446 0.844 -2.108 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 7.935 0.210 -0.527 0.00 0.00 -0.255 N ATOM 32 H LIG 1 8.489 -0.198 -1.267 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 8.363 -0.066 0.744 0.00 0.00 +0.219 C ATOM 34 O LIG 1 9.404 -0.693 0.928 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 7.497 0.400 1.887 0.00 0.00 +0.098 C ATOM 36 C LIG 1 6.616 1.579 1.518 0.00 0.00 +0.041 C ENDBRANCH 6 28 TORSDOF 4