REMARK Name = BDB034645 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.216 -0.854 1.347 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.298 -1.474 0.697 0.00 0.00 -0.292 N ATOM 3 O LIG 1 0.340 0.187 1.999 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.666 -0.957 0.915 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.879 0.475 0.407 0.00 0.00 +0.036 C ATOM 6 C LIG 1 4.372 0.853 0.478 0.00 0.00 +0.076 C ATOM 7 C LIG 1 5.135 0.059 1.564 0.00 0.00 +0.092 C ATOM 8 N LIG 1 4.324 -0.272 2.741 0.00 0.00 -0.314 NA ATOM 9 H LIG 1 3.994 0.609 3.152 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 3.139 -1.078 2.390 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.558 2.328 0.604 0.00 0.00 +0.176 A ATOM 12 N LIG 1 4.957 3.103 -0.457 0.00 0.00 -0.196 NA ATOM 13 C LIG 1 4.975 4.304 0.075 0.00 0.00 +0.224 A ATOM 14 C LIG 1 5.317 5.601 -0.534 0.00 0.00 +0.112 C ATOM 15 O LIG 1 4.618 4.323 1.391 0.00 0.00 -0.338 OA ATOM 16 N LIG 1 4.339 3.001 1.742 0.00 0.00 -0.061 NA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 18 ATOM 17 C LIG 1 -2.240 -0.576 0.952 0.00 0.00 +0.059 A ATOM 18 C LIG 1 -1.162 -1.426 1.251 0.00 0.00 +0.146 A ATOM 19 N LIG 1 -1.284 -2.750 1.537 0.00 0.00 -0.248 NA ATOM 20 C LIG 1 -2.535 -3.264 1.475 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -3.690 -2.554 1.140 0.00 0.00 -0.024 A ATOM 22 C LIG 1 -3.498 -1.186 0.870 0.00 0.00 +0.030 A BRANCH 21 23 ATOM 23 C LIG 1 -5.076 -3.163 1.061 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -5.516 -4.231 2.034 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.285 -4.583 0.592 0.00 0.00 +0.009 C ENDBRANCH 21 23 BRANCH 17 26 ATOM 26 N LIG 1 -2.050 0.794 0.625 0.00 0.00 -0.339 N ATOM 27 H LIG 1 -1.240 1.151 1.155 0.00 0.00 +0.146 HD BRANCH 26 30 ATOM 28 C LIG 1 -2.667 2.808 -1.395 0.00 0.00 +0.121 C ATOM 29 C LIG 1 -3.706 1.749 -0.958 0.00 0.00 +0.054 C ATOM 30 C LIG 1 -3.083 1.777 0.455 0.00 0.00 +0.075 C ATOM 31 C LIG 1 -2.504 3.164 0.101 0.00 0.00 +0.054 C BRANCH 28 33 ATOM 32 C LIG 1 -3.338 3.546 -3.604 0.00 0.00 +0.194 C ATOM 33 O LIG 1 -3.155 3.877 -2.235 0.00 0.00 -0.380 OA ENDBRANCH 28 33 ENDBRANCH 26 30 ENDBRANCH 17 26 ENDBRANCH 1 18 BRANCH 2 34 ATOM 34 C LIG 1 1.143 -2.524 -0.323 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 1.301 -2.005 -1.767 0.00 0.00 +0.000 C ATOM 36 C LIG 1 1.310 -3.185 -2.742 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.188 -1.027 -2.150 0.00 0.00 +0.009 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9