REMARK Name = BDB062274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.077 1.169 0.000 0.00 0.00 -0.001 A ATOM 2 C LIG 1 -1.634 1.166 -1.326 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -0.323 1.536 -1.636 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.568 1.914 -0.621 0.00 0.00 -0.033 A ATOM 5 C LIG 1 0.116 1.921 0.707 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.195 1.551 1.016 0.00 0.00 +0.010 A ENDROOT BRANCH 1 17 ATOM 7 O LIG 1 -7.495 -3.219 1.004 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -6.587 -2.517 0.559 0.00 0.00 +0.245 C ATOM 9 C LIG 1 -6.593 -1.058 0.825 0.00 0.00 +0.049 A ATOM 10 C LIG 1 -5.460 -0.223 0.673 0.00 0.00 +0.016 A ATOM 11 C LIG 1 -5.574 1.129 1.012 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -6.762 1.698 1.482 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -7.861 0.857 1.618 0.00 0.00 +0.126 A ATOM 14 F LIG 1 -9.015 1.365 2.070 0.00 0.00 -0.205 F ATOM 15 N LIG 1 -4.348 1.711 0.801 0.00 0.00 -0.354 N ATOM 16 H LIG 1 -4.137 2.686 0.963 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 -3.448 0.792 0.321 0.00 0.00 +0.051 A ATOM 18 C LIG 1 -4.113 -0.422 0.226 0.00 0.00 -0.012 A ATOM 19 C LIG 1 -3.556 -1.723 -0.248 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -4.592 -2.531 -1.022 0.00 0.00 +0.109 C ATOM 21 C LIG 1 -7.790 -0.492 1.306 0.00 0.00 +0.052 A ATOM 22 N LIG 1 -5.602 -3.130 -0.171 0.00 0.00 -0.311 N ATOM 23 H LIG 1 -5.790 -4.118 -0.296 0.00 0.00 +0.149 HD ENDBRANCH 1 17 BRANCH 4 24 ATOM 24 C LIG 1 1.987 2.325 -0.953 0.00 0.00 +0.119 C BRANCH 24 25 ATOM 25 N LIG 1 3.003 1.527 -0.248 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 3.041 0.132 -0.750 0.00 0.00 +0.103 C ATOM 27 C LIG 1 4.135 -0.723 -0.071 0.00 0.00 +0.123 C ATOM 28 N LIG 1 5.449 -0.075 -0.185 0.00 0.00 -0.297 N ATOM 29 C LIG 1 5.469 1.327 0.253 0.00 0.00 +0.123 C ATOM 30 C LIG 1 4.343 2.129 -0.436 0.00 0.00 +0.103 C BRANCH 28 31 ATOM 31 C LIG 1 6.498 -0.840 0.332 0.00 0.00 +0.218 A ATOM 32 N LIG 1 6.359 -2.177 0.399 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 7.394 -2.897 0.871 0.00 0.00 +0.116 A ATOM 34 C LIG 1 8.577 -2.343 1.283 0.00 0.00 +0.039 A ATOM 35 C LIG 1 8.640 -0.979 1.180 0.00 0.00 +0.116 A ATOM 36 N LIG 1 7.630 -0.220 0.714 0.00 0.00 -0.223 NA ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 4