REMARK Name = BDB022763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 -1.674 -0.607 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.376 -1.251 0.737 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.838 -1.828 1.063 0.00 0.00 +0.122 A ATOM 4 N LIG 1 1.248 -2.535 -0.027 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.376 -2.480 -1.053 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.146 -0.402 1.636 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -2.457 -0.194 1.279 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -2.863 -0.870 0.637 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -0.655 0.078 2.655 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.367 0.447 2.196 0.00 0.00 +0.142 C BRANCH 10 11 ATOM 11 C LIG 1 -4.618 0.916 1.482 0.00 0.00 -0.001 A ATOM 12 C LIG 1 -5.690 0.089 1.064 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -6.779 0.680 0.392 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -6.806 2.052 0.128 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -5.754 2.870 0.517 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -4.671 2.302 1.185 0.00 0.00 +0.053 A BRANCH 12 17 ATOM 17 N LIG 1 -5.721 -1.321 1.283 0.00 0.00 -0.200 N ATOM 18 N LIG 1 -4.756 -2.007 1.932 0.00 0.00 -0.039 NA ATOM 19 N LIG 1 -5.131 -3.277 1.943 0.00 0.00 -0.023 NA ATOM 20 N LIG 1 -6.326 -3.439 1.304 0.00 0.00 -0.116 NA ATOM 21 C LIG 1 -6.679 -2.238 0.906 0.00 0.00 +0.250 A ENDBRANCH 12 17 BRANCH 15 22 ATOM 22 O LIG 1 -5.901 4.188 0.189 0.00 0.00 -0.495 OA ATOM 23 C LIG 1 -4.844 5.068 0.552 0.00 0.00 +0.277 C ENDBRANCH 15 22 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 24 ATOM 24 C LIG 1 -1.742 -1.328 -1.517 0.00 0.00 +0.217 C BRANCH 24 26 ATOM 25 C LIG 1 -3.187 -3.174 -1.165 0.00 0.00 +0.194 C ATOM 26 O LIG 1 -3.019 -1.765 -1.016 0.00 0.00 -0.377 OA ENDBRANCH 24 26 ENDBRANCH 1 24 BRANCH 4 27 ATOM 27 C LIG 1 2.459 -3.339 -0.136 0.00 0.00 +0.178 C BRANCH 27 28 ATOM 28 C LIG 1 3.687 -2.479 -0.297 0.00 0.00 -0.026 A ATOM 29 C LIG 1 4.610 -2.346 0.749 0.00 0.00 +0.006 A ATOM 30 C LIG 1 5.740 -1.538 0.600 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.970 -0.848 -0.597 0.00 0.00 -0.028 A ATOM 32 C LIG 1 5.048 -0.982 -1.643 0.00 0.00 +0.006 A ATOM 33 C LIG 1 3.919 -1.790 -1.495 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 7.182 0.043 -0.758 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 N LIG 1 6.843 1.464 -0.745 0.00 0.00 -0.311 N ATOM 36 C LIG 1 6.790 2.150 -1.958 0.00 0.00 +0.252 A ATOM 37 O LIG 1 7.024 1.657 -3.058 0.00 0.00 -0.268 OA ATOM 38 C LIG 1 6.424 3.591 -1.877 0.00 0.00 +0.070 A ATOM 39 C LIG 1 6.154 4.155 -0.693 0.00 0.00 +0.007 A ATOM 40 C LIG 1 6.213 3.376 0.516 0.00 0.00 +0.018 A ATOM 41 C LIG 1 6.547 2.081 0.461 0.00 0.00 +0.089 A ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 11