REMARK Name = BDB015526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.399 -0.822 0.229 0.00 0.00 +0.081 A ATOM 2 N LIG 1 1.652 0.431 0.654 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 0.618 1.124 1.148 0.00 0.00 +0.326 A ATOM 4 N LIG 1 -0.629 0.656 1.303 0.00 0.00 -0.178 NA ATOM 5 C LIG 1 -0.823 -0.603 0.902 0.00 0.00 +0.147 A ATOM 6 C LIG 1 0.155 -1.400 0.354 0.00 0.00 +0.073 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 6.342 -1.976 0.201 0.00 0.00 +0.049 C ATOM 8 C LIG 1 4.948 -2.083 -0.328 0.00 0.00 +0.015 A ATOM 9 C LIG 1 4.742 -2.969 -1.518 0.00 0.00 +0.254 A ATOM 10 O LIG 1 5.691 -3.586 -1.996 0.00 0.00 -0.267 OA ATOM 11 N LIG 1 3.439 -3.026 -2.014 0.00 0.00 -0.317 N ATOM 12 C LIG 1 3.163 -3.840 -3.188 0.00 0.00 +0.152 C ATOM 13 C LIG 1 2.390 -2.328 -1.437 0.00 0.00 +0.098 A ATOM 14 C LIG 1 2.554 -1.554 -0.347 0.00 0.00 +0.017 A ATOM 15 C LIG 1 3.898 -1.429 0.195 0.00 0.00 +0.020 A ENDBRANCH 1 14 BRANCH 5 16 ATOM 16 N LIG 1 -2.171 -1.043 1.075 0.00 0.00 -0.193 N ATOM 17 C LIG 1 -2.344 -2.231 1.935 0.00 0.00 +0.159 C BRANCH 16 18 ATOM 18 S LIG 1 -3.082 -1.068 -0.360 0.00 0.00 +0.049 S ATOM 19 O LIG 1 -2.260 -1.651 -1.403 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 -4.372 -1.653 -0.048 0.00 0.00 -0.155 OA BRANCH 18 21 ATOM 21 C LIG 1 -3.335 0.690 -0.711 0.00 0.00 +0.145 C ATOM 22 C LIG 1 -4.052 1.392 0.438 0.00 0.00 +0.033 C ATOM 23 C LIG 1 -4.123 0.844 -2.009 0.00 0.00 +0.033 C ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 5 16 BRANCH 3 24 ATOM 24 O LIG 1 0.930 2.400 1.596 0.00 0.00 -0.421 OA BRANCH 24 25 ATOM 25 C LIG 1 -0.113 3.289 1.678 0.00 0.00 +0.167 A ATOM 26 C LIG 1 -0.847 3.677 0.553 0.00 0.00 +0.168 A ATOM 27 F LIG 1 -0.573 3.153 -0.650 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -1.867 4.614 0.660 0.00 0.00 +0.080 A ATOM 29 C LIG 1 -2.139 5.169 1.904 0.00 0.00 +0.126 A ATOM 30 F LIG 1 -3.121 6.072 2.020 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -1.404 4.810 3.032 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -0.378 3.871 2.919 0.00 0.00 +0.052 A ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6