REMARK Name = BDB034642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.261 0.544 -0.575 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -1.383 0.917 0.203 0.00 0.00 +0.267 C ATOM 3 O LIG 1 -1.237 1.437 1.316 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 1.043 1.122 -0.172 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.193 0.104 -0.125 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.496 0.811 0.287 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.782 2.039 -0.599 0.00 0.00 +0.093 C ATOM 8 N LIG 1 2.755 2.343 -1.603 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 2.776 1.618 -2.323 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 1.409 2.375 -1.015 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.681 -0.156 0.256 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.863 0.241 0.863 0.00 0.00 -0.297 N ATOM 13 C LIG 1 7.046 -0.617 0.733 0.00 0.00 +0.136 C ATOM 14 C LIG 1 8.334 0.207 0.820 0.00 0.00 +0.179 C ATOM 15 O LIG 1 8.461 0.970 2.030 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 7.214 1.244 2.680 0.00 0.00 +0.179 C ATOM 17 C LIG 1 6.051 1.434 1.699 0.00 0.00 +0.136 C ATOM 18 O LIG 1 4.594 -1.241 -0.322 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 1 4 BRANCH 2 19 ATOM 19 C LIG 1 -2.799 0.672 -0.255 0.00 0.00 +0.146 A ATOM 20 C LIG 1 -3.805 0.393 0.691 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -5.095 0.159 0.187 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -5.377 0.209 -1.185 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -4.300 0.525 -2.010 0.00 0.00 +0.115 A ATOM 24 N LIG 1 -3.035 0.759 -1.592 0.00 0.00 -0.248 NA BRANCH 22 25 ATOM 25 C LIG 1 -6.763 -0.013 -1.733 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -7.594 -1.190 -1.278 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -7.020 -1.178 -2.662 0.00 0.00 +0.009 C ENDBRANCH 22 25 BRANCH 20 28 ATOM 28 N LIG 1 -3.574 0.351 2.092 0.00 0.00 -0.339 N ATOM 29 H LIG 1 -2.604 0.625 2.303 0.00 0.00 +0.146 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.124 -0.750 2.887 0.00 0.00 +0.071 C ATOM 31 C LIG 1 -5.439 -0.623 3.606 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -4.157 -0.644 4.386 0.00 0.00 +0.024 C ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 2 19 BRANCH 1 33 ATOM 33 C LIG 1 -0.341 -0.142 -1.876 0.00 0.00 +0.111 C BRANCH 33 35 ATOM 34 C LIG 1 0.076 -2.501 -0.997 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.858 -1.595 -1.800 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -1.035 -2.154 -3.214 0.00 0.00 +0.009 C ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 8