REMARK Name = BDB027134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.815 -0.032 1.258 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.977 -1.538 1.421 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.032 -2.157 2.680 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.195 -3.540 2.789 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.322 -4.322 1.644 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.300 -3.723 0.388 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.137 -2.341 0.277 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -3.172 0.584 1.230 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.463 0.668 2.209 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.187 1.924 0.628 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -3.218 1.915 -0.912 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -7.086 0.959 -2.596 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.324 -0.037 -1.981 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -5.074 0.272 -1.438 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.571 1.579 -1.499 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -5.343 2.573 -2.117 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.593 2.266 -2.662 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 -9.405 0.393 -3.612 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 -8.368 0.645 -3.155 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.959 0.606 2.381 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -1.522 1.142 3.346 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.513 0.593 2.314 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.445 0.008 1.384 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.734 0.340 1.824 0.00 0.00 +0.048 A ATOM 25 C LIG 1 3.904 -0.054 1.159 0.00 0.00 +0.039 A ATOM 26 C LIG 1 3.764 -0.807 -0.010 0.00 0.00 +0.039 A ATOM 27 C LIG 1 2.506 -1.189 -0.467 0.00 0.00 +0.014 A ATOM 28 N LIG 1 2.601 1.068 2.980 0.00 0.00 -0.360 N ATOM 29 H LIG 1 3.371 1.427 3.529 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 1.349 -0.783 0.215 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.281 1.233 3.277 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 4.957 -1.272 -0.754 0.00 0.00 +0.247 C ATOM 33 N LIG 1 5.880 -0.332 -1.172 0.00 0.00 -0.298 N ATOM 34 C LIG 1 5.713 1.115 -1.205 0.00 0.00 +0.108 C ATOM 35 C LIG 1 6.733 1.591 -2.232 0.00 0.00 +0.020 C ATOM 36 C LIG 1 7.838 0.548 -2.125 0.00 0.00 +0.020 C ATOM 37 C LIG 1 7.059 -0.741 -1.915 0.00 0.00 +0.108 C ATOM 38 O LIG 1 5.070 -2.473 -0.986 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9