REMARK Name = BDB058261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.360 0.054 0.479 0.00 0.00 +0.035 A ATOM 2 C LIG 1 5.654 -0.686 1.396 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.315 -0.440 1.648 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.319 -1.107 2.552 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.350 0.030 2.779 0.00 0.00 +0.067 C ATOM 6 C LIG 1 2.308 0.670 1.406 0.00 0.00 +0.216 C ATOM 7 C LIG 1 1.412 -0.027 0.461 0.00 0.00 +0.273 C ATOM 8 O LIG 1 1.562 -1.197 0.028 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 0.386 0.895 0.169 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.687 2.159 0.793 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.076 3.182 0.696 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.877 2.021 1.457 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 3.703 0.572 0.957 0.00 0.00 +0.008 A ATOM 14 C LIG 1 4.373 1.339 0.028 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.701 1.077 -0.210 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.693 -1.245 -1.650 0.00 0.00 +0.129 C ATOM 17 N LIG 1 9.391 -1.023 -1.364 0.00 0.00 -0.302 N ATOM 18 H LIG 1 9.066 -1.563 -2.582 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 8.079 -0.798 -1.075 0.00 0.00 +0.304 C ATOM 20 N LIG 1 7.702 -0.209 0.220 0.00 0.00 -0.269 N ATOM 21 H LIG 1 8.443 -0.011 0.897 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.099 -1.053 -1.834 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -0.802 0.625 -0.648 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -1.889 0.172 0.237 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.212 -0.141 -0.202 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -4.164 -0.517 0.830 0.00 0.00 +0.080 C ATOM 27 C LIG 1 -5.045 0.624 1.247 0.00 0.00 +0.027 C ATOM 28 C LIG 1 -5.469 1.547 0.172 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.781 0.840 -1.120 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.835 0.181 -1.899 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -5.250 -0.408 -3.066 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.561 -0.353 -3.464 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.487 0.314 -2.661 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.116 0.919 -1.479 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.373 0.013 -1.630 0.00 0.00 +0.143 C ATOM 36 O LIG 1 -1.652 0.051 1.472 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -4.890 -1.799 0.567 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -4.649 -3.002 1.488 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -5.934 -2.209 1.539 0.00 0.00 +0.006 C ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4