REMARK Name = BDB034418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 -1.841 1.383 0.00 0.00 +0.034 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.487 -1.768 2.004 0.00 0.00 +0.083 C BRANCH 2 3 ATOM 3 N LIG 1 1.471 -1.218 1.074 0.00 0.00 -0.312 NA ATOM 4 H LIG 1 1.275 -0.236 0.884 0.00 0.00 +0.122 HD BRANCH 3 5 ATOM 5 C LIG 1 2.826 -1.309 1.625 0.00 0.00 +0.116 C BRANCH 5 9 ATOM 6 C LIG 1 5.707 0.517 -1.053 0.00 0.00 +0.161 A ATOM 7 C LIG 1 4.959 -0.598 -1.452 0.00 0.00 +0.159 A ATOM 8 C LIG 1 4.030 -1.190 -0.594 0.00 0.00 +0.054 A ATOM 9 C LIG 1 3.828 -0.671 0.693 0.00 0.00 -0.030 A ATOM 10 C LIG 1 4.572 0.446 1.094 0.00 0.00 +0.009 A ATOM 11 C LIG 1 5.504 1.034 0.229 0.00 0.00 +0.050 A BRANCH 6 13 ATOM 12 C LIG 1 7.368 2.141 -1.591 0.00 0.00 +0.277 C ATOM 13 O LIG 1 6.589 1.018 -1.974 0.00 0.00 -0.491 OA ENDBRANCH 6 13 BRANCH 7 14 ATOM 14 O LIG 1 5.143 -1.113 -2.708 0.00 0.00 -0.503 OA ATOM 15 H LIG 1 4.532 -1.855 -2.836 0.00 0.00 +0.292 HD ENDBRANCH 7 14 ENDBRANCH 5 9 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 -1.513 -0.469 1.079 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 N LIG 1 -2.899 -0.637 0.645 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -2.987 -1.366 -0.061 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 -3.679 0.483 0.287 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -4.979 0.296 -0.267 0.00 0.00 +0.021 A ATOM 21 C LIG 1 -5.736 1.450 -0.592 0.00 0.00 +0.074 A ATOM 22 C LIG 1 -6.996 1.306 -1.153 0.00 0.00 +0.048 A ATOM 23 C LIG 1 -7.543 0.048 -1.390 0.00 0.00 +0.043 A ATOM 24 C LIG 1 -6.834 -1.097 -1.062 0.00 0.00 +0.021 A ATOM 25 CL LIG 1 -9.111 -0.088 -2.084 0.00 0.00 -0.083 Cl ATOM 26 N LIG 1 -5.294 2.695 -0.374 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 -4.088 2.842 0.202 0.00 0.00 +0.113 A ATOM 28 C LIG 1 -5.563 -0.974 -0.502 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -3.266 1.789 0.556 0.00 0.00 +0.043 A ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9