REMARK Name = BDB017619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.370 -0.735 -0.684 0.00 0.00 -0.327 N ATOM 2 C LIG 1 1.316 0.288 -0.817 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.008 -0.176 -0.162 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.543 -1.472 -0.635 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.540 -2.341 -1.145 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.911 -2.117 -0.465 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.476 0.334 -0.546 0.00 0.00 +0.072 A ATOM 8 C LIG 1 6.028 -0.872 -0.016 0.00 0.00 +0.137 A ATOM 9 F LIG 1 6.879 -1.735 0.563 0.00 0.00 -0.205 F ATOM 10 C LIG 1 4.675 -1.226 -0.061 0.00 0.00 +0.062 A ATOM 11 C LIG 1 3.709 -0.388 -0.634 0.00 0.00 +0.033 A ATOM 12 C LIG 1 4.177 0.825 -1.166 0.00 0.00 +0.024 A ATOM 13 C LIG 1 5.533 1.185 -1.126 0.00 0.00 +0.018 A BRANCH 7 16 ATOM 14 N LIG 1 8.820 -0.107 0.026 0.00 0.00 -0.312 N ATOM 15 H LIG 1 8.495 -0.968 0.452 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 7.903 0.760 -0.527 0.00 0.00 +0.247 C ATOM 17 O LIG 1 8.219 1.851 -0.994 0.00 0.00 -0.270 OA BRANCH 14 19 ATOM 18 C LIG 1 10.487 1.044 1.409 0.00 0.00 +0.024 C ATOM 19 C LIG 1 10.221 0.232 0.155 0.00 0.00 +0.101 C ENDBRANCH 14 19 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 20 ATOM 20 C LIG 1 -1.591 -1.320 -1.655 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 -2.884 -0.750 -1.107 0.00 0.00 -0.031 A ATOM 22 C LIG 1 -3.480 -1.296 0.038 0.00 0.00 +0.031 A ATOM 23 C LIG 1 -4.680 -0.772 0.527 0.00 0.00 +0.051 A ATOM 24 C LIG 1 -5.335 0.285 -0.121 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -6.615 0.780 0.441 0.00 0.00 +0.045 A ATOM 26 N LIG 1 -7.329 1.765 -0.240 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -7.192 1.732 -1.247 0.00 0.00 +0.146 HD ATOM 28 C LIG 1 -8.703 2.082 0.134 0.00 0.00 +0.102 C ATOM 29 C LIG 1 -8.827 2.082 1.653 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -8.349 0.748 2.236 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.075 0.261 1.597 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.359 -0.844 2.290 0.00 0.00 +0.254 A ATOM 33 O LIG 1 -6.778 -1.333 3.336 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -4.728 0.832 -1.261 0.00 0.00 +0.012 A ATOM 35 N LIG 1 -5.219 -1.308 1.700 0.00 0.00 -0.322 N ATOM 36 H LIG 1 -4.745 -2.056 2.186 0.00 0.00 +0.169 HD ATOM 37 C LIG 1 -3.522 0.316 -1.753 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 5