REMARK Name = BDB019920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.422 -0.545 -1.361 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -2.684 -1.269 -0.186 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -1.723 -2.123 0.379 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -0.475 -2.245 -0.250 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.195 -1.530 -1.421 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -1.174 -0.699 -1.980 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.014 -2.864 1.616 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.258 -4.257 1.627 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.251 -5.076 0.362 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.486 -4.908 2.852 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.497 -4.187 4.040 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.719 -4.825 5.197 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.282 -2.818 4.044 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.040 -2.160 2.837 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 5 15 ATOM 15 C LIG 1 1.117 -1.640 -2.116 0.00 0.00 +0.244 C ATOM 16 N LIG 1 2.205 -1.934 -1.325 0.00 0.00 -0.307 N ATOM 17 H LIG 1 2.113 -1.848 -0.322 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 1.184 -1.437 -3.324 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.551 -1.883 -1.850 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 4.220 -0.593 -1.459 0.00 0.00 -0.023 A ATOM 21 C LIG 1 3.999 0.575 -2.202 0.00 0.00 +0.051 A ATOM 22 C LIG 1 4.583 1.788 -1.827 0.00 0.00 +0.124 A ATOM 23 C LIG 1 5.402 1.839 -0.694 0.00 0.00 +0.091 A ATOM 24 C LIG 1 5.630 0.684 0.060 0.00 0.00 +0.124 A ATOM 25 C LIG 1 5.036 -0.522 -0.323 0.00 0.00 +0.051 A BRANCH 22 26 ATOM 26 O LIG 1 4.277 2.841 -2.647 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 4.755 4.123 -2.263 0.00 0.00 +0.277 C ENDBRANCH 22 26 BRANCH 24 28 ATOM 28 O LIG 1 6.403 0.597 1.188 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 7.036 1.790 1.632 0.00 0.00 +0.277 C ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 5 15 BRANCH 1 30 ATOM 30 C LIG 1 -3.470 0.356 -1.976 0.00 0.00 +0.159 C BRANCH 30 35 ATOM 31 N LIG 1 -4.302 3.009 0.342 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -3.347 2.392 -0.473 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -2.137 2.783 -0.654 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -1.665 2.136 -1.284 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -4.023 1.289 -1.014 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -5.328 1.262 -0.531 0.00 0.00 +0.107 A ATOM 37 C LIG 1 -5.493 2.300 0.300 0.00 0.00 +0.106 A BRANCH 31 39 ATOM 38 C LIG 1 -3.351 3.756 2.464 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -4.022 4.168 1.164 0.00 0.00 +0.121 C ENDBRANCH 31 39 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 9