REMARK Name = BDB023895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.851 6.004 -0.270 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -1.803 4.574 -0.089 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.944 4.259 0.859 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -2.390 3.759 -1.027 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -2.300 2.400 -0.750 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -1.183 1.867 0.051 0.00 0.00 +0.146 C ATOM 7 C LIG 1 -1.388 0.414 0.358 0.00 0.00 -0.000 A ATOM 8 C LIG 1 -0.629 -0.430 1.208 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.198 -1.694 1.162 0.00 0.00 +0.129 A ATOM 10 N LIG 1 -2.286 -1.646 0.302 0.00 0.00 -0.332 N ATOM 11 C LIG 1 -2.393 -0.364 -0.189 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -3.410 0.184 -1.135 0.00 0.00 +0.073 C ATOM 13 C LIG 1 -2.880 1.490 -1.754 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -2.948 4.209 -2.024 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 0.544 -0.094 2.002 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.837 -0.003 1.419 0.00 0.00 +0.008 A ATOM 17 C LIG 1 2.931 0.351 2.235 0.00 0.00 -0.014 A ATOM 18 C LIG 1 4.212 0.448 1.672 0.00 0.00 +0.037 A ATOM 19 C LIG 1 4.387 0.194 0.316 0.00 0.00 +0.075 A ATOM 20 N LIG 1 3.360 -0.150 -0.493 0.00 0.00 -0.254 NA ATOM 21 C LIG 1 2.724 0.603 3.602 0.00 0.00 +0.008 A ATOM 22 C LIG 1 1.452 0.509 4.164 0.00 0.00 +0.001 A ATOM 23 C LIG 1 2.131 -0.244 0.069 0.00 0.00 +0.120 A ATOM 24 C LIG 1 0.364 0.165 3.368 0.00 0.00 +0.009 A BRANCH 19 25 ATOM 25 C LIG 1 5.695 0.286 -0.311 0.00 0.00 +0.038 A ATOM 26 C LIG 1 5.943 0.048 -1.649 0.00 0.00 +0.118 A ATOM 27 N LIG 1 7.279 0.238 -1.838 0.00 0.00 -0.274 N ATOM 28 C LIG 1 8.009 0.102 -3.074 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.933 0.588 -0.715 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.969 0.615 0.209 0.00 0.00 +0.144 A ENDBRANCH 19 25 ENDBRANCH 8 15 BRANCH 10 31 ATOM 31 C LIG 1 -3.138 -2.793 -0.025 0.00 0.00 +0.092 C ATOM 32 C LIG 1 -2.907 -3.309 -1.453 0.00 0.00 +0.053 C ATOM 33 C LIG 1 -4.157 -3.979 -2.009 0.00 0.00 +0.162 C ATOM 34 O LIG 1 -4.815 -4.697 -0.972 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -5.412 -3.851 0.012 0.00 0.00 +0.162 C ATOM 36 C LIG 1 -4.624 -2.568 0.265 0.00 0.00 +0.053 C ENDBRANCH 10 31 BRANCH 9 37 ATOM 37 C LIG 1 -0.756 -2.857 1.863 0.00 0.00 +0.118 C ATOM 38 N LIG 1 -0.423 -3.813 2.429 0.00 0.00 -0.189 NA ENDBRANCH 9 37 TORSDOF 4