REMARK Name = BDB013910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.051 1.687 -1.458 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -0.838 0.791 -1.811 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -0.217 1.007 -2.858 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.443 -0.207 -0.910 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.936 -0.304 0.430 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -1.135 0.850 1.217 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.657 0.730 2.516 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.970 -0.521 3.042 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.761 -1.663 2.278 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -0.760 2.215 0.705 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.247 -1.554 0.984 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.714 2.714 -0.374 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -4.082 0.398 -2.074 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.242 0.903 -1.105 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -3.276 0.477 -0.187 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -3.959 0.650 -3.270 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.191 -0.528 -1.526 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.620 -1.932 -1.347 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -7.136 0.623 -2.417 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -6.334 -0.595 -2.462 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -5.942 -0.679 -3.406 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.497 -1.233 -1.413 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 1.694 -1.528 -0.509 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.666 -0.519 -0.212 0.00 0.00 -0.010 A ATOM 25 C LIG 1 3.708 -0.814 0.697 0.00 0.00 -0.017 A ATOM 26 C LIG 1 4.662 0.165 1.038 0.00 0.00 +0.020 A ATOM 27 C LIG 1 4.647 1.460 0.490 0.00 0.00 +0.021 A ATOM 28 C LIG 1 3.634 1.736 -0.435 0.00 0.00 +0.012 A ATOM 29 C LIG 1 3.798 -2.091 1.259 0.00 0.00 +0.012 A ATOM 30 C LIG 1 2.889 -3.091 0.920 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.675 0.773 -0.780 0.00 0.00 +0.009 A ATOM 32 C LIG 1 1.848 -2.827 0.032 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 5.654 2.470 0.865 0.00 0.00 +0.182 A ATOM 34 N LIG 1 5.533 3.719 0.351 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 6.445 4.678 0.676 0.00 0.00 -0.154 NA ATOM 36 C LIG 1 7.448 4.348 1.502 0.00 0.00 +0.154 A ATOM 37 C LIG 1 7.537 3.073 2.004 0.00 0.00 +0.134 A ATOM 38 N LIG 1 6.649 2.105 1.705 0.00 0.00 -0.233 NA ENDBRANCH 27 33 BRANCH 32 39 ATOM 39 O LIG 1 0.928 -3.767 -0.358 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 1.157 -5.118 0.026 0.00 0.00 +0.277 C ENDBRANCH 32 39 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7