REMARK Name = BDB062442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.022 1.433 -0.531 0.00 0.00 +0.002 A ATOM 2 C LIG 1 1.334 0.951 -0.327 0.00 0.00 +0.037 A ATOM 3 C LIG 1 2.409 1.381 -1.118 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.179 2.354 -2.102 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.895 2.850 -2.316 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -0.172 2.390 -1.542 0.00 0.00 +0.010 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.372 0.350 0.725 0.00 0.00 +0.040 A ATOM 8 C LIG 1 -2.396 0.827 -0.149 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -1.092 0.951 0.314 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -0.759 0.618 1.590 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -1.735 0.192 2.422 0.00 0.00 +0.112 A ATOM 12 C LIG 1 -3.052 0.047 2.045 0.00 0.00 +0.033 A BRANCH 7 15 ATOM 13 C LIG 1 -4.840 -2.242 0.648 0.00 0.00 +0.132 C ATOM 14 N LIG 1 -5.465 -0.942 0.438 0.00 0.00 -0.304 N ATOM 15 C LIG 1 -4.765 0.247 0.244 0.00 0.00 +0.246 C ATOM 16 O LIG 1 -5.247 1.241 -0.295 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -6.875 -0.966 0.087 0.00 0.00 +0.132 C ENDBRANCH 7 15 ENDBRANCH 1 9 BRANCH 3 18 ATOM 18 N LIG 1 3.741 0.909 -0.913 0.00 0.00 -0.227 N ATOM 19 C LIG 1 4.226 -0.222 -0.285 0.00 0.00 +0.161 A ATOM 20 C LIG 1 5.579 0.000 -0.058 0.00 0.00 +0.108 A ATOM 21 C LIG 1 5.856 1.176 -0.770 0.00 0.00 +0.150 A ATOM 22 N LIG 1 4.775 1.681 -1.358 0.00 0.00 -0.173 NA BRANCH 19 23 ATOM 23 C LIG 1 3.424 -1.423 -0.006 0.00 0.00 +0.435 C ATOM 24 F LIG 1 2.375 -1.569 -0.854 0.00 0.00 -0.164 F ATOM 25 F LIG 1 4.154 -2.559 -0.148 0.00 0.00 -0.164 F ATOM 26 F LIG 1 2.928 -1.423 1.253 0.00 0.00 -0.164 F ENDBRANCH 19 23 BRANCH 20 27 ATOM 27 C LIG 1 6.487 -0.830 0.695 0.00 0.00 +0.340 C ATOM 28 O LIG 1 6.169 -1.774 1.399 0.00 0.00 -0.245 OA BRANCH 27 29 ATOM 29 O LIG 1 7.782 -0.465 0.589 0.00 0.00 -0.477 OA ATOM 30 H LIG 1 8.247 -1.116 1.155 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 18 TORSDOF 6