REMARK Name = BDB024743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.427 0.963 -2.145 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.447 -0.001 -1.856 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.676 -1.421 -2.219 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.772 -2.048 -1.337 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.435 -2.326 -2.114 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.198 -1.588 -2.577 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.029 -0.403 -1.675 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.235 -0.012 -1.185 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.466 -0.579 -1.402 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -2.329 0.128 -0.700 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -1.693 1.167 -0.059 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.350 1.097 -0.354 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.750 1.875 0.010 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.997 1.494 -0.505 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.160 0.376 -1.336 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.357 2.162 -1.905 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.529 1.369 -3.122 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.509 0.428 -2.789 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.313 2.186 0.765 0.00 0.00 +0.146 C BRANCH 19 20 ATOM 20 C LIG 1 -2.452 1.755 2.212 0.00 0.00 +0.187 C BRANCH 20 21 ATOM 21 S LIG 1 -3.207 3.075 3.136 0.00 0.00 -0.032 S ATOM 22 O LIG 1 -4.560 3.238 2.641 0.00 0.00 -0.175 OA ATOM 23 O LIG 1 -2.279 4.193 3.132 0.00 0.00 -0.175 OA ATOM 24 C LIG 1 -3.288 2.431 4.791 0.00 0.00 +0.194 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 25 ATOM 25 C LIG 1 -3.793 -0.171 -0.606 0.00 0.00 +0.097 C BRANCH 25 26 ATOM 26 C LIG 1 -4.048 -1.651 -0.352 0.00 0.00 +0.151 C BRANCH 26 27 ATOM 27 N LIG 1 -3.534 -2.098 0.934 0.00 0.00 -0.271 N ATOM 28 N LIG 1 -4.191 -1.773 2.064 0.00 0.00 -0.180 NA ATOM 29 C LIG 1 -3.478 -2.380 3.022 0.00 0.00 +0.134 A ATOM 30 C LIG 1 -2.343 -3.038 2.517 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -2.411 -2.842 1.158 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7