REMARK Name = BDB013940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.478 -1.181 -1.262 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.344 -0.627 -0.401 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.347 0.583 -0.120 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.290 -1.453 -0.001 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.008 -2.804 -0.440 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.907 -3.745 -0.959 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.429 -5.015 -1.394 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.906 -5.383 -1.312 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.807 -4.485 -0.785 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.406 -3.643 -1.083 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.361 -3.229 -0.361 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.090 -2.393 -0.593 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.361 0.337 -0.584 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.439 -0.098 -1.530 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.081 0.637 -2.127 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.677 -0.305 0.412 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.909 1.748 -0.898 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.263 1.988 -0.235 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 3.740 3.018 0.861 0.00 0.00 +0.101 C ATOM 20 N LIG 1 3.876 2.766 -0.573 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 2.967 2.421 -0.890 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.639 -0.805 0.951 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.774 0.040 0.366 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.726 0.663 1.235 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -3.776 1.454 0.684 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -4.704 2.092 1.560 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.625 1.891 2.946 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.615 1.112 3.484 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.865 1.554 -0.724 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -2.937 0.949 -1.564 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.675 0.521 2.642 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.896 0.209 -1.024 0.00 0.00 +0.006 A BRANCH 26 33 ATOM 33 C LIG 1 -5.742 3.002 1.089 0.00 0.00 +0.180 A ATOM 34 N LIG 1 -5.500 4.144 0.375 0.00 0.00 -0.239 N ATOM 35 H LIG 1 -4.621 4.527 0.051 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -6.647 4.785 0.120 0.00 0.00 -0.046 NA ATOM 37 N LIG 1 -7.585 4.054 0.705 0.00 0.00 -0.023 NA ATOM 38 N LIG 1 -7.039 2.954 1.325 0.00 0.00 -0.108 NA ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 6