REMARK Name = BDB002315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.883 -1.619 -0.283 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.721 -2.085 1.028 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.607 -2.156 1.655 0.00 0.00 +0.163 C ATOM 4 C LIG 1 1.101 -3.539 1.262 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.174 -4.382 1.373 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -1.342 -3.383 1.281 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.071 -1.470 -1.046 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.664 -1.035 1.583 0.00 0.00 +0.250 C ATOM 9 N LIG 1 2.093 -0.697 0.318 0.00 0.00 -0.228 N ATOM 10 H LIG 1 1.552 -0.950 -0.510 0.00 0.00 +0.173 HD ATOM 11 O LIG 1 2.158 -0.586 2.620 0.00 0.00 -0.272 OA BRANCH 9 12 ATOM 12 N LIG 1 2.974 0.383 0.167 0.00 0.00 -0.220 N BRANCH 12 13 ATOM 13 C LIG 1 4.262 0.005 -0.312 0.00 0.00 +0.053 A ATOM 14 C LIG 1 4.889 -1.173 0.134 0.00 0.00 +0.025 A ATOM 15 C LIG 1 6.151 -1.549 -0.336 0.00 0.00 +0.002 A ATOM 16 C LIG 1 6.813 -0.756 -1.267 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.214 0.413 -1.727 0.00 0.00 +0.002 A ATOM 18 C LIG 1 4.953 0.788 -1.253 0.00 0.00 +0.025 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 2.373 1.675 0.127 0.00 0.00 +0.053 A ATOM 20 C LIG 1 1.051 1.889 -0.294 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.491 3.171 -0.310 0.00 0.00 +0.002 A ATOM 22 C LIG 1 1.241 4.266 0.108 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.551 4.079 0.541 0.00 0.00 +0.002 A ATOM 24 C LIG 1 3.108 2.797 0.550 0.00 0.00 +0.025 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -2.341 -1.224 -0.648 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 -3.925 0.089 0.768 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -2.689 -0.080 0.186 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -2.085 0.741 0.212 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -4.818 -0.750 0.705 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -4.027 1.411 1.569 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -5.490 1.770 1.823 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -2.932 3.588 1.681 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -3.301 2.471 0.821 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -3.904 2.808 0.068 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -2.614 -0.931 -2.142 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -2.387 -2.175 -3.007 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.846 0.265 -2.713 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 9