REMARK Name = BDB061175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.198 -0.209 -0.151 0.00 0.00 +0.100 A ATOM 2 C LIG 1 0.442 0.735 0.705 0.00 0.00 +0.187 A ATOM 3 N LIG 1 1.804 0.619 0.862 0.00 0.00 -0.252 N ATOM 4 C LIG 1 2.167 1.642 1.690 0.00 0.00 +0.232 A ATOM 5 N LIG 1 1.105 2.328 2.045 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 2.577 -0.372 0.244 0.00 0.00 +0.203 A ATOM 7 N LIG 1 1.987 -1.227 -0.544 0.00 0.00 -0.222 NA ATOM 8 N LIG 1 0.018 1.757 1.426 0.00 0.00 -0.128 NA ATOM 9 C LIG 1 0.618 -1.124 -0.721 0.00 0.00 +0.141 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -6.168 0.652 -0.570 0.00 0.00 -0.033 A ATOM 11 C LIG 1 -5.002 1.159 0.035 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.792 0.539 -0.228 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -2.427 0.864 0.277 0.00 0.00 +0.150 C ATOM 14 N LIG 1 -1.574 -0.146 -0.355 0.00 0.00 -0.259 N ATOM 15 C LIG 1 -2.337 -0.999 -1.164 0.00 0.00 +0.252 C ATOM 16 O LIG 1 -2.000 -1.950 -1.845 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.733 -0.557 -1.075 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -4.852 -1.082 -1.692 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -6.078 -0.465 -1.434 0.00 0.00 +0.005 A BRANCH 10 20 ATOM 20 C LIG 1 -7.513 1.304 -0.304 0.00 0.00 +0.119 C BRANCH 20 22 ATOM 21 C LIG 1 -7.638 1.018 2.125 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -8.285 0.794 0.837 0.00 0.00 -0.304 NA ATOM 23 C LIG 1 -8.696 -0.597 0.687 0.00 0.00 +0.104 C ENDBRANCH 20 22 ENDBRANCH 10 20 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 N LIG 1 3.935 -0.409 0.479 0.00 0.00 -0.310 N ATOM 25 H LIG 1 4.272 -0.013 1.350 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.736 -1.541 0.038 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 6.191 -1.194 0.159 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.826 -0.335 -0.732 0.00 0.00 +0.005 A ATOM 29 C LIG 1 6.279 0.419 -1.887 0.00 0.00 +0.080 C ATOM 30 C LIG 1 7.590 0.875 -2.527 0.00 0.00 +0.234 C ATOM 31 O LIG 1 8.632 0.871 -1.524 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 8.165 -0.001 -0.575 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.931 -0.494 0.462 0.00 0.00 +0.049 A ATOM 34 C LIG 1 8.317 -1.362 1.366 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.966 -1.700 1.210 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.405 -2.517 2.113 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 6