REMARK Name = BDB058760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.502 -3.816 0.810 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.075 -2.596 0.070 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.756 -1.339 0.032 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.005 -0.473 -0.766 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.399 0.858 -0.989 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.583 1.309 -0.398 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.361 0.459 0.387 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.101 -1.182 -1.206 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.949 -0.862 0.620 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.062 -2.475 -0.716 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.116 -3.488 -1.012 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.615 1.000 0.981 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.635 0.091 1.184 0.00 0.00 -0.311 N ATOM 14 H LIG 1 4.557 -0.828 0.771 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.716 2.196 1.229 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.939 0.512 1.657 0.00 0.00 +0.108 C BRANCH 16 17 ATOM 17 C LIG 1 6.818 1.088 0.535 0.00 0.00 +0.009 C ATOM 18 C LIG 1 8.149 1.624 1.096 0.00 0.00 +0.020 C ATOM 19 C LIG 1 9.277 0.608 0.942 0.00 0.00 +0.081 C ATOM 20 N LIG 1 9.539 0.263 -0.456 0.00 0.00 -0.316 NA ATOM 21 H LIG 1 9.968 -0.660 -0.501 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 8.359 0.318 -1.320 0.00 0.00 +0.081 C ATOM 23 C LIG 1 7.059 0.043 -0.572 0.00 0.00 +0.020 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 24 ATOM 24 C LIG 1 -2.128 -0.647 -2.102 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 -3.423 -0.326 -1.394 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -3.454 0.493 -0.257 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.668 0.809 0.362 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -5.880 0.325 -0.146 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -5.849 -0.489 -1.286 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -4.637 -0.805 -1.907 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -7.152 0.648 0.513 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -7.824 1.876 0.347 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -9.017 2.131 1.047 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -9.551 1.174 1.910 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.900 -0.043 2.078 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.714 -0.302 1.388 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -7.320 2.912 -0.591 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -6.769 2.742 -1.661 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -7.540 4.153 -0.114 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -7.147 4.733 -0.800 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 8