REMARK Name = BDB057104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.121 -0.864 2.708 0.00 0.00 -0.026 A ATOM 2 C LIG 1 1.102 -1.808 2.520 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -0.216 -1.397 2.298 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.525 -0.033 2.245 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.488 0.914 2.439 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.803 0.501 2.660 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.912 0.454 2.004 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -2.729 -0.378 1.263 0.00 0.00 -0.308 N ATOM 9 H LIG 1 -2.290 -1.121 0.737 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -2.260 1.553 2.421 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -4.070 0.040 0.855 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -4.012 0.978 -0.349 0.00 0.00 +0.046 C ATOM 13 C LIG 1 -5.417 1.503 -0.727 0.00 0.00 +0.043 C ATOM 14 C LIG 1 -5.747 2.748 0.125 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -5.388 1.942 -2.207 0.00 0.00 +0.030 C ATOM 16 N LIG 1 -6.454 0.501 -0.423 0.00 0.00 -0.180 NA ATOM 17 C LIG 1 -6.127 -0.930 -0.420 0.00 0.00 +0.043 C ATOM 18 C LIG 1 -7.347 -1.722 0.108 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.788 -1.486 -1.818 0.00 0.00 +0.030 C ATOM 20 C LIG 1 -4.944 -1.190 0.558 0.00 0.00 +0.046 C BRANCH 16 21 ATOM 21 O LIG 1 -7.700 0.812 -1.090 0.00 0.00 -0.311 OA ATOM 22 H LIG 1 -7.588 0.478 -1.998 0.00 0.00 +0.237 HD ENDBRANCH 16 21 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 3.550 -1.308 2.928 0.00 0.00 +0.182 C BRANCH 23 32 ATOM 24 C LIG 1 5.599 -0.133 0.201 0.00 0.00 +0.102 A ATOM 25 C LIG 1 5.663 -1.261 -0.750 0.00 0.00 +0.015 A ATOM 26 C LIG 1 5.060 -2.451 -0.353 0.00 0.00 +0.050 A ATOM 27 C LIG 1 5.087 -3.576 -1.191 0.00 0.00 +0.014 A ATOM 28 C LIG 1 5.700 -3.501 -2.441 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.269 -2.301 -2.860 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.345 -2.518 0.935 0.00 0.00 +0.275 A ATOM 31 O LIG 1 3.814 -3.572 1.277 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 4.304 -1.344 1.679 0.00 0.00 -0.224 N ATOM 33 C LIG 1 6.244 -1.181 -2.024 0.00 0.00 +0.011 A ATOM 34 N LIG 1 4.937 -0.179 1.317 0.00 0.00 -0.167 NA BRANCH 24 39 ATOM 35 C LIG 1 6.751 4.698 -0.049 0.00 0.00 +0.172 C ATOM 36 N LIG 1 6.793 3.259 -0.140 0.00 0.00 -0.274 N ATOM 37 N LIG 1 7.899 2.655 -0.612 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 7.609 1.356 -0.520 0.00 0.00 +0.144 A ATOM 39 C LIG 1 6.298 1.115 -0.047 0.00 0.00 +0.040 A ATOM 40 C LIG 1 5.811 2.384 0.213 0.00 0.00 +0.118 A ENDBRANCH 24 39 ENDBRANCH 23 32 ENDBRANCH 1 23 TORSDOF 6