REMARK Name = BDB045558 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.568 -1.257 -2.765 0.00 0.00 +0.176 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.510 -1.696 -4.231 0.00 0.00 +0.232 C ATOM 3 O LIG 1 0.470 -1.504 -4.948 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -1.615 -2.353 -4.692 0.00 0.00 -0.328 N ATOM 5 H LIG 1 -2.467 -2.443 -4.133 0.00 0.00 +0.145 HD ATOM 6 H LIG 1 -1.649 -2.638 -5.662 0.00 0.00 +0.145 HD ENDBRANCH 1 2 BRANCH 1 8 ATOM 7 C LIG 1 1.006 -0.401 -1.043 0.00 0.00 +0.214 C ATOM 8 N LIG 1 0.740 -0.751 -2.344 0.00 0.00 -0.303 N ATOM 9 H LIG 1 1.485 -0.811 -3.034 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 0.155 -0.396 -0.158 0.00 0.00 -0.276 OA BRANCH 7 11 ATOM 11 C LIG 1 2.449 0.006 -0.819 0.00 0.00 +0.104 C BRANCH 11 15 ATOM 12 C LIG 1 5.991 2.400 0.592 0.00 0.00 +0.120 A ATOM 13 C LIG 1 4.667 2.066 0.278 0.00 0.00 +0.050 A ATOM 14 C LIG 1 4.112 0.920 0.841 0.00 0.00 -0.029 A ATOM 15 C LIG 1 2.721 0.375 0.644 0.00 0.00 +0.036 C ATOM 16 C LIG 1 2.672 -0.858 1.583 0.00 0.00 +0.088 C ATOM 17 C LIG 1 4.053 -0.965 2.177 0.00 0.00 +0.164 C ATOM 18 O LIG 1 4.444 -1.830 2.940 0.00 0.00 -0.292 OA ATOM 19 C LIG 1 4.869 0.144 1.710 0.00 0.00 +0.021 A ATOM 20 C LIG 1 6.177 0.442 2.038 0.00 0.00 +0.015 A ATOM 21 C LIG 1 6.737 1.585 1.464 0.00 0.00 +0.046 A BRANCH 12 23 ATOM 22 C LIG 1 5.964 4.377 -0.735 0.00 0.00 +0.277 C ATOM 23 O LIG 1 6.674 3.487 0.118 0.00 0.00 -0.495 OA ENDBRANCH 12 23 ENDBRANCH 11 15 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.688 -0.222 -2.556 0.00 0.00 +0.136 C BRANCH 24 25 ATOM 25 N LIG 1 -2.481 -0.553 -1.387 0.00 0.00 -0.309 N ATOM 26 H LIG 1 -2.048 -0.369 -0.485 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -3.418 -1.566 -1.452 0.00 0.00 +0.246 C ATOM 28 O LIG 1 -3.665 -2.143 -2.511 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -3.994 -2.039 -0.154 0.00 0.00 +0.058 A ATOM 30 C LIG 1 -4.066 -1.267 1.030 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -4.432 -1.909 2.228 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -4.775 -3.263 2.248 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.753 -4.004 1.073 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.361 -3.398 -0.119 0.00 0.00 +0.015 A BRANCH 30 35 ATOM 35 N LIG 1 -3.810 0.141 1.057 0.00 0.00 -0.254 N ATOM 36 C LIG 1 -4.501 0.990 0.188 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -5.334 0.639 -0.642 0.00 0.00 -0.252 OA ATOM 38 N LIG 1 -4.194 2.324 0.317 0.00 0.00 -0.240 N ATOM 39 H LIG 1 -4.680 2.938 -0.320 0.00 0.00 +0.159 HD ATOM 40 C LIG 1 -3.103 2.852 0.952 0.00 0.00 +0.222 C ATOM 41 O LIG 1 -2.775 4.025 0.795 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 -2.289 1.896 1.776 0.00 0.00 +0.115 C ATOM 43 C LIG 1 -3.161 0.739 2.214 0.00 0.00 +0.124 C ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9