REMARK Name = BDB011172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.631 -2.132 0.388 0.00 0.00 +0.146 A ATOM 2 C LIG 1 2.257 -1.955 0.647 0.00 0.00 +0.114 A ATOM 3 N LIG 1 1.603 -2.861 1.404 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 0.271 -2.754 1.557 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -0.454 -1.700 1.049 0.00 0.00 +0.082 A ATOM 6 C LIG 1 0.202 -0.664 0.405 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -0.592 0.503 0.153 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -2.000 0.388 0.014 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -2.682 1.398 -0.176 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -2.537 -0.891 0.189 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -1.913 -1.691 1.137 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -2.433 -2.376 2.012 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 1.579 -0.841 0.083 0.00 0.00 +0.028 A ATOM 14 C LIG 1 2.297 -0.030 -0.827 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.650 -0.229 -1.088 0.00 0.00 +0.004 A ATOM 16 C LIG 1 4.324 -1.266 -0.464 0.00 0.00 +0.048 A ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 -0.101 1.880 0.413 0.00 0.00 +0.093 C ATOM 18 C LIG 1 1.070 2.052 1.400 0.00 0.00 +0.031 C ATOM 19 C LIG 1 1.311 3.522 1.767 0.00 0.00 +0.077 C ATOM 20 C LIG 1 1.032 4.486 0.620 0.00 0.00 +0.249 C ATOM 21 F LIG 1 -0.203 5.027 0.791 0.00 0.00 -0.206 F ATOM 22 F LIG 1 1.911 5.516 0.674 0.00 0.00 -0.206 F ATOM 23 C LIG 1 1.089 3.833 -0.749 0.00 0.00 +0.077 C ATOM 24 C LIG 1 0.046 2.721 -0.874 0.00 0.00 +0.031 C ENDBRANCH 7 17 BRANCH 10 25 ATOM 25 C LIG 1 -3.880 -1.199 -0.282 0.00 0.00 +0.056 A ATOM 26 C LIG 1 -4.509 -0.411 -1.266 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -5.783 -0.725 -1.756 0.00 0.00 +0.043 A ATOM 28 CL LIG 1 -6.508 0.276 -2.955 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 -6.462 -1.845 -1.299 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -5.854 -2.663 -0.357 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -4.577 -2.350 0.132 0.00 0.00 +0.026 A ENDBRANCH 10 25 BRANCH 1 33 ATOM 32 C LIG 1 5.603 -3.443 0.791 0.00 0.00 +0.277 C ATOM 33 O LIG 1 4.219 -3.212 1.012 0.00 0.00 -0.493 OA ENDBRANCH 1 33 TORSDOF 3