REMARK Name = BDB060752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.791 1.677 1.283 0.00 0.00 -0.209 N ATOM 2 C LIG 1 -2.849 0.490 2.007 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -3.485 0.271 3.027 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.047 -0.391 1.323 0.00 0.00 -0.275 N ATOM 5 C LIG 1 -1.603 0.280 0.244 0.00 0.00 +0.134 A ATOM 6 N LIG 1 -2.008 1.516 0.164 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.597 2.849 1.524 0.00 0.00 +0.184 C BRANCH 7 12 ATOM 8 C LIG 1 -8.760 2.419 -1.143 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -7.441 2.558 -0.444 0.00 0.00 -0.050 A ATOM 10 C LIG 1 -7.285 2.121 0.875 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -6.047 2.221 1.514 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.941 2.760 0.843 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -5.092 3.171 -0.488 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.331 3.071 -1.125 0.00 0.00 +0.004 A ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 15 ATOM 15 C LIG 1 -1.852 -1.771 1.717 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 C LIG 1 -2.725 -2.735 0.946 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -4.122 -2.599 0.946 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.923 -3.496 0.237 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.341 -4.545 -0.471 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.957 -4.700 -0.468 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -2.153 -3.804 0.238 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 4 15 BRANCH 5 22 ATOM 22 C LIG 1 -0.680 -0.323 -0.776 0.00 0.00 +0.077 C BRANCH 22 23 ATOM 23 C LIG 1 0.773 -0.190 -0.326 0.00 0.00 +0.012 C BRANCH 23 24 ATOM 24 C LIG 1 1.728 -0.773 -1.368 0.00 0.00 +0.035 C BRANCH 24 25 ATOM 25 C LIG 1 3.165 -0.664 -0.927 0.00 0.00 -0.047 A ATOM 26 C LIG 1 3.782 -1.712 -0.237 0.00 0.00 +0.007 A ATOM 27 C LIG 1 5.109 -1.593 0.182 0.00 0.00 +0.046 A ATOM 28 C LIG 1 5.843 -0.435 -0.084 0.00 0.00 +0.122 A ATOM 29 C LIG 1 5.226 0.620 -0.751 0.00 0.00 +0.046 A ATOM 30 C LIG 1 3.896 0.504 -1.172 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 O LIG 1 7.117 -0.451 0.407 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 8.147 0.396 -0.126 0.00 0.00 +0.200 C ATOM 33 C LIG 1 9.438 -0.091 0.558 0.00 0.00 +0.067 C ATOM 34 C LIG 1 8.325 0.230 -1.641 0.00 0.00 +0.067 C BRANCH 32 35 ATOM 35 C LIG 1 7.996 1.871 0.286 0.00 0.00 +0.348 C ATOM 36 O LIG 1 8.479 2.819 -0.315 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 7.277 2.028 1.427 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 6.930 1.166 1.744 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 12