REMARK Name = BDB051799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.333 -0.115 -1.144 0.00 0.00 +0.249 C ATOM 2 N LIG 1 -0.000 -0.240 -0.773 0.00 0.00 -0.294 N ATOM 3 C LIG 1 0.488 -0.354 0.608 0.00 0.00 +0.127 C ATOM 4 C LIG 1 1.753 -1.216 0.717 0.00 0.00 +0.127 C ATOM 5 N LIG 1 2.831 -0.791 -0.183 0.00 0.00 -0.297 N ATOM 6 C LIG 1 4.110 -1.270 0.089 0.00 0.00 +0.236 C ATOM 7 O LIG 1 4.277 -2.041 1.044 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 2.413 -0.037 -1.374 0.00 0.00 +0.127 C ATOM 9 C LIG 1 0.997 -0.408 -1.833 0.00 0.00 +0.127 C ATOM 10 O LIG 1 -1.724 -0.233 -2.304 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.476 -0.511 0.894 0.00 0.00 -0.041 A ATOM 12 C LIG 1 -3.450 -0.741 -0.036 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.358 0.133 -0.114 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -2.299 1.248 0.717 0.00 0.00 +0.135 A ATOM 15 F LIG 1 -1.288 2.123 0.628 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.298 1.476 1.657 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -4.378 0.596 1.752 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 -5.651 -1.459 0.982 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 -6.674 -0.567 -1.688 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -7.498 -0.282 -0.468 0.00 0.00 -0.019 A ATOM 21 C LIG 1 -8.677 0.372 -0.472 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -9.351 0.986 -1.665 0.00 0.00 +0.050 C ATOM 23 C LIG 1 -9.431 0.545 0.803 0.00 0.00 +0.268 A ATOM 24 O LIG 1 -10.517 1.115 0.841 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 -8.850 0.029 1.926 0.00 0.00 -0.243 N ATOM 26 H LIG 1 -9.355 0.140 2.800 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 -7.655 -0.607 1.986 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 -7.006 -0.761 0.871 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 5.339 -0.843 -0.795 0.00 0.00 +0.100 C ATOM 30 N LIG 1 5.166 -1.355 -2.196 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 5.896 -0.938 -2.776 0.00 0.00 +0.123 HD ATOM 32 C LIG 1 5.426 -2.799 -2.118 0.00 0.00 +0.082 C ATOM 33 C LIG 1 6.487 -2.974 -1.046 0.00 0.00 +0.017 C ATOM 34 C LIG 1 6.610 -1.609 -0.380 0.00 0.00 +0.033 C BRANCH 29 35 ATOM 35 C LIG 1 5.576 0.687 -0.771 0.00 0.00 +0.066 C BRANCH 35 36 ATOM 36 C LIG 1 5.884 1.277 0.589 0.00 0.00 -0.045 A ATOM 37 C LIG 1 7.211 1.421 1.019 0.00 0.00 +0.004 A ATOM 38 C LIG 1 7.496 1.958 2.276 0.00 0.00 +0.000 A ATOM 39 C LIG 1 6.459 2.360 3.115 0.00 0.00 +0.000 A ATOM 40 C LIG 1 5.137 2.229 2.696 0.00 0.00 +0.000 A ATOM 41 C LIG 1 4.851 1.692 1.440 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 6 29 TORSDOF 6