REMARK Name = BDB046177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.924 -1.553 1.281 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -4.229 -1.221 0.887 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.565 -0.202 0.015 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -5.989 -0.265 -0.072 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.463 -1.267 0.688 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.532 0.571 -0.536 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.207 0.284 -0.172 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -5.366 -1.847 1.292 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -1.900 -0.758 0.715 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -6.891 0.579 -0.851 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -7.953 0.004 -1.564 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -8.813 0.802 -2.322 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.624 2.181 -2.366 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.580 2.765 -1.650 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.716 1.968 -0.894 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.635 -2.673 2.248 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -2.199 -3.310 4.644 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -2.455 -2.163 3.680 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.629 -1.083 1.116 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 0.490 -0.509 0.436 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 0.938 0.767 1.146 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 2.008 1.514 0.360 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 3.128 0.652 0.168 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 4.121 1.107 -0.658 0.00 0.00 +0.121 A ATOM 25 C LIG 1 5.121 0.171 -0.937 0.00 0.00 +0.049 A ATOM 26 C LIG 1 6.195 0.490 -1.780 0.00 0.00 -0.043 A ATOM 27 C LIG 1 6.255 1.770 -2.341 0.00 0.00 +0.004 A ATOM 28 C LIG 1 5.268 2.712 -2.056 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.204 2.384 -1.217 0.00 0.00 +0.045 A BRANCH 26 30 ATOM 30 C LIG 1 7.271 -0.529 -2.070 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 8.563 -0.209 -1.326 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 9.631 -1.228 -1.625 0.00 0.00 +0.305 C ATOM 33 O LIG 1 9.462 -2.275 -2.228 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 10.838 -0.863 -1.141 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 10.830 -0.016 -0.654 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13