REMARK Name = BDB058716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.316 -1.132 -0.351 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.815 -1.135 -0.639 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -4.771 -2.134 -0.241 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -6.012 -1.753 -0.751 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -7.176 -2.511 -0.567 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -7.064 -3.693 0.169 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -5.846 -4.102 0.701 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -8.468 -4.659 0.424 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -5.830 -0.563 -1.406 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -6.561 -0.031 -1.861 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -4.694 -3.330 0.503 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -4.527 -0.137 -1.305 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -4.068 1.132 -1.795 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -2.975 1.645 -1.609 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -5.029 1.758 -2.502 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -4.609 2.600 -2.778 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 -2.133 -0.516 1.075 0.00 0.00 +0.239 C ATOM 18 N LIG 1 -1.969 0.863 1.061 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -2.071 1.331 0.161 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -2.181 -1.179 2.108 0.00 0.00 -0.273 OA BRANCH 18 21 ATOM 21 C LIG 1 -1.921 1.721 2.253 0.00 0.00 +0.026 C ATOM 22 C LIG 1 -0.749 1.343 3.171 0.00 0.00 +0.031 C ATOM 23 C LIG 1 -1.713 3.173 1.783 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -3.246 1.645 3.027 0.00 0.00 +0.031 C ENDBRANCH 18 21 ENDBRANCH 1 17 BRANCH 1 25 ATOM 25 N LIG 1 -1.741 -2.462 -0.633 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -1.874 -2.994 -1.906 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -1.252 -3.946 -2.361 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 -0.655 -2.978 0.200 0.00 0.00 +0.143 C BRANCH 28 32 ATOM 29 C LIG 1 2.965 -0.606 -0.050 0.00 0.00 +0.121 A ATOM 30 C LIG 1 2.249 -0.688 1.145 0.00 0.00 +0.046 A ATOM 31 C LIG 1 1.086 -1.458 1.230 0.00 0.00 +0.009 A ATOM 32 C LIG 1 0.611 -2.154 0.113 0.00 0.00 -0.030 A ATOM 33 C LIG 1 1.342 -2.079 -1.081 0.00 0.00 +0.009 A ATOM 34 C LIG 1 2.508 -1.309 -1.164 0.00 0.00 +0.046 A BRANCH 29 35 ATOM 35 O LIG 1 4.078 0.184 0.006 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 4.874 0.270 -1.175 0.00 0.00 +0.264 C BRANCH 36 41 ATOM 37 C LIG 1 9.343 3.900 -0.256 0.00 0.00 +0.044 C ATOM 38 C LIG 1 8.195 2.957 -0.464 0.00 0.00 -0.050 A ATOM 39 C LIG 1 6.878 3.388 -0.270 0.00 0.00 +0.004 A ATOM 40 C LIG 1 5.809 2.517 -0.490 0.00 0.00 +0.007 A ATOM 41 C LIG 1 6.036 1.200 -0.916 0.00 0.00 -0.010 A ATOM 42 C LIG 1 7.354 0.777 -1.127 0.00 0.00 +0.007 A ATOM 43 C LIG 1 8.424 1.649 -0.906 0.00 0.00 +0.004 A ENDBRANCH 36 41 ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 28 32 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11