REMARK Name = BDB019052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.899 -0.594 -0.172 0.00 0.00 +0.027 A ATOM 2 C LIG 1 1.140 -0.708 -1.367 0.00 0.00 +0.078 A ATOM 3 N LIG 1 -0.232 -0.673 -1.244 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -0.747 -0.862 -2.499 0.00 0.00 +0.206 A ATOM 5 N LIG 1 0.200 -0.947 -3.411 0.00 0.00 -0.243 NA ATOM 6 C LIG 1 -0.882 -0.501 -0.010 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.181 -0.414 1.090 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 1.379 -0.853 -2.715 0.00 0.00 +0.139 A ATOM 9 C LIG 1 1.196 -0.470 0.977 0.00 0.00 +0.125 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.095 -0.678 0.050 0.00 0.00 +0.176 A ATOM 11 N LIG 1 5.468 0.450 0.472 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 4.116 0.432 0.384 0.00 0.00 +0.121 A ATOM 13 C LIG 1 3.370 -0.645 -0.101 0.00 0.00 +0.004 A ATOM 14 C LIG 1 4.072 -1.777 -0.533 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.463 -1.801 -0.460 0.00 0.00 +0.048 A BRANCH 10 17 ATOM 16 C LIG 1 8.285 1.045 0.508 0.00 0.00 +0.202 C ATOM 17 S LIG 1 7.870 -0.642 0.159 0.00 0.00 +0.011 S ATOM 18 O LIG 1 8.381 -0.954 -1.165 0.00 0.00 -0.168 OA ATOM 19 O LIG 1 8.243 -1.447 1.308 0.00 0.00 -0.168 OA ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N LIG 1 -2.255 -0.441 0.060 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.517 -0.579 1.035 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.932 0.757 -0.429 0.00 0.00 +0.143 C BRANCH 22 23 ATOM 23 C LIG 1 -4.416 0.575 -0.314 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -5.117 0.824 0.863 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -4.634 1.256 2.197 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -5.974 1.594 2.850 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -7.025 0.874 2.168 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -6.487 0.600 0.938 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -7.217 0.121 -0.131 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -6.536 -0.130 -1.322 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -5.156 0.095 -1.403 0.00 0.00 +0.129 A ATOM 32 F LIG 1 -4.533 -0.165 -2.562 0.00 0.00 -0.205 F ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 5