REMARK Name = BDB061344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.653 0.231 -0.402 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.729 -1.133 -0.123 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.739 -1.777 0.646 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.900 -3.252 0.926 0.00 0.00 +0.036 C ATOM 5 C LIG 1 2.603 -3.924 1.365 0.00 0.00 +0.009 C ATOM 6 C LIG 1 1.940 -3.119 2.474 0.00 0.00 +0.063 C ATOM 7 C LIG 1 1.583 -1.700 2.006 0.00 0.00 +0.216 C ATOM 8 C LIG 1 0.225 -1.694 1.322 0.00 0.00 +0.273 C ATOM 9 O LIG 1 -0.065 -2.217 0.256 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -0.627 -1.022 2.134 0.00 0.00 -0.195 N ATOM 11 C LIG 1 0.017 -0.550 3.218 0.00 0.00 +0.411 C ATOM 12 O LIG 1 -0.476 0.111 4.119 0.00 0.00 -0.226 OA ATOM 13 O LIG 1 1.325 -0.921 3.195 0.00 0.00 -0.429 OA ATOM 14 C LIG 1 2.665 -1.034 1.173 0.00 0.00 +0.008 A ATOM 15 C LIG 1 2.599 0.340 0.886 0.00 0.00 +0.010 A ATOM 16 C LIG 1 3.580 0.962 0.110 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 8.632 1.103 -3.144 0.00 0.00 +0.129 C ATOM 18 N LIG 1 7.439 1.434 -2.404 0.00 0.00 -0.302 N ATOM 19 H LIG 1 7.489 2.263 -1.831 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 6.670 0.413 -1.871 0.00 0.00 +0.304 C ATOM 21 N LIG 1 5.611 0.933 -1.160 0.00 0.00 -0.269 N ATOM 22 H LIG 1 5.424 1.910 -1.325 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 6.932 -0.768 -2.049 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 10 24 ATOM 24 C LIG 1 -1.990 -0.685 1.792 0.00 0.00 +0.215 C BRANCH 24 25 ATOM 25 C LIG 1 -2.001 0.641 1.016 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.234 1.109 0.563 0.00 0.00 -0.293 N ATOM 27 C LIG 1 -3.265 2.326 -0.252 0.00 0.00 +0.080 C ATOM 28 C LIG 1 -4.207 2.210 -1.460 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -3.964 0.932 -2.262 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.567 -0.343 -1.702 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -4.795 -0.595 -0.330 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -5.371 -1.825 0.058 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -5.679 -2.805 -0.883 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -5.419 -2.565 -2.221 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -5.708 -3.505 -3.130 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -4.870 -1.357 -2.633 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -4.497 0.409 0.764 0.00 0.00 +0.143 C ATOM 38 O LIG 1 -0.951 1.256 0.808 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -3.662 3.497 0.621 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.653 4.153 1.530 0.00 0.00 +0.006 C ATOM 41 C LIG 1 -3.151 4.884 0.315 0.00 0.00 +0.006 C ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 4