REMARK Name = BDB052204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.389 -1.867 1.110 0.00 0.00 +0.139 A ATOM 2 C LIG 1 -0.524 -1.053 -0.041 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.644 -0.502 -0.564 0.00 0.00 +0.152 A ATOM 4 O LIG 1 0.738 0.304 -1.681 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 2.057 0.736 -1.774 0.00 0.00 +0.127 C ATOM 6 C LIG 1 2.956 -0.019 -0.812 0.00 0.00 +0.117 C ATOM 7 C LIG 1 3.844 -1.031 -1.540 0.00 0.00 +0.033 C ATOM 8 C LIG 1 3.754 1.067 -0.094 0.00 0.00 +0.169 C ATOM 9 O LIG 1 3.875 1.128 1.133 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 4.430 2.113 -0.960 0.00 0.00 +0.192 C ATOM 11 C LIG 1 3.761 2.346 -2.296 0.00 0.00 +0.177 C ATOM 12 O LIG 1 4.261 3.053 -3.168 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 2.407 1.793 -2.511 0.00 0.00 +0.090 C ATOM 14 C LIG 1 1.907 -0.723 0.002 0.00 0.00 +0.058 A ATOM 15 C LIG 1 2.032 -1.542 1.101 0.00 0.00 +0.128 A ATOM 16 C LIG 1 0.890 -2.111 1.662 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.831 -0.731 -0.704 0.00 0.00 +0.251 C ATOM 18 N LIG 1 -2.923 -1.487 -0.344 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -2.804 -2.213 0.357 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -1.921 0.171 -1.531 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 -4.241 -1.258 -0.885 0.00 0.00 +0.142 C BRANCH 21 22 ATOM 22 C LIG 1 -4.963 -0.129 -0.191 0.00 0.00 -0.000 A ATOM 23 C LIG 1 -5.240 -0.097 1.190 0.00 0.00 +0.131 A ATOM 24 C LIG 1 -5.901 0.990 1.785 0.00 0.00 +0.033 A ATOM 25 C LIG 1 -6.306 2.065 0.998 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -6.043 2.057 -0.370 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.378 0.976 -0.957 0.00 0.00 +0.007 A BRANCH 23 28 ATOM 28 N LIG 1 -4.840 -1.190 2.068 0.00 0.00 +0.057 N ATOM 29 O LIG 1 -5.087 -2.348 1.701 0.00 0.00 -0.126 OA ATOM 30 O LIG 1 -4.297 -0.890 3.142 0.00 0.00 -0.126 OA ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 31 ATOM 31 C LIG 1 5.907 1.855 -1.106 0.00 0.00 +0.148 C ATOM 32 O LIG 1 6.356 0.719 -1.261 0.00 0.00 -0.296 OA ATOM 33 C LIG 1 6.823 3.053 -1.086 0.00 0.00 +0.087 C ENDBRANCH 10 31 BRANCH 1 35 ATOM 34 C LIG 1 -1.477 -2.931 2.964 0.00 0.00 +0.277 C ATOM 35 O LIG 1 -1.531 -2.430 1.630 0.00 0.00 -0.494 OA ENDBRANCH 1 35 BRANCH 15 36 ATOM 36 O LIG 1 3.272 -1.806 1.589 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 3.199 -2.179 2.483 0.00 0.00 +0.292 HD ENDBRANCH 15 36 TORSDOF 7