REMARK Name = BDB021534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.033 -0.116 0.258 0.00 0.00 +0.123 A ATOM 2 C LIG 1 2.309 0.959 -0.265 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.099 1.429 0.312 0.00 0.00 +0.045 A ATOM 4 N LIG 1 0.498 2.534 -0.315 0.00 0.00 -0.331 N ATOM 5 C LIG 1 -0.947 2.786 -0.212 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -1.791 1.542 0.056 0.00 0.00 +0.127 C ATOM 7 N LIG 1 -1.804 1.255 1.485 0.00 0.00 -0.293 N ATOM 8 C LIG 1 -0.626 1.038 2.192 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -0.572 1.030 3.421 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.311 3.756 -0.216 0.00 0.00 +0.129 C ATOM 11 C LIG 1 0.621 0.734 1.440 0.00 0.00 +0.058 A ATOM 12 C LIG 1 1.360 -0.341 1.976 0.00 0.00 +0.018 A ATOM 13 C LIG 1 2.553 -0.758 1.392 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 4.204 -0.624 -0.225 0.00 0.00 -0.489 OA BRANCH 14 18 ATOM 15 N LIG 1 7.672 -0.221 -1.017 0.00 0.00 -0.302 NA ATOM 16 C LIG 1 6.851 0.797 -0.336 0.00 0.00 +0.088 C ATOM 17 C LIG 1 5.608 1.144 -1.155 0.00 0.00 +0.060 C ATOM 18 C LIG 1 4.758 -0.095 -1.438 0.00 0.00 +0.176 C ATOM 19 C LIG 1 5.639 -1.188 -2.050 0.00 0.00 +0.060 C ATOM 20 C LIG 1 6.889 -1.453 -1.209 0.00 0.00 +0.088 C BRANCH 15 22 ATOM 21 C LIG 1 9.930 -1.297 -0.993 0.00 0.00 +0.020 C ATOM 22 C LIG 1 8.897 -0.468 -0.237 0.00 0.00 +0.081 C ENDBRANCH 15 22 ENDBRANCH 14 18 ENDBRANCH 1 14 BRANCH 7 23 ATOM 23 C LIG 1 -3.075 1.320 2.215 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.874 -0.003 2.257 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.135 -1.038 2.916 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.539 -1.875 2.612 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.310 -0.508 0.865 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.033 -1.802 0.929 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.218 -2.368 -0.424 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.300 -1.700 -1.248 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.354 -1.006 -0.626 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.362 -0.427 -1.409 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.337 -0.555 -2.797 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.304 -1.258 -3.414 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.371 -0.829 0.872 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.292 -1.831 -2.644 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.350 -1.727 1.588 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 8