REMARK Name = BDB055999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.274 -1.183 -1.286 0.00 0.00 +0.094 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.597 -1.096 -2.723 0.00 0.00 -0.324 NA ATOM 3 H LIG 1 0.181 -1.877 -3.228 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 0.194 -0.244 -3.115 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -1.234 -1.532 -1.059 0.00 0.00 +0.133 C BRANCH 5 6 ATOM 6 O LIG 1 -1.469 -1.844 0.308 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 -0.833 -2.522 0.588 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 -2.213 -0.447 -1.559 0.00 0.00 +0.046 C BRANCH 8 9 ATOM 9 C LIG 1 -3.707 -0.562 -1.138 0.00 0.00 +0.080 C BRANCH 9 10 ATOM 10 C LIG 1 -3.935 0.188 0.197 0.00 0.00 +0.221 C ATOM 11 N LIG 1 -5.231 0.671 0.325 0.00 0.00 -0.285 N ATOM 12 H LIG 1 -5.848 0.532 -0.465 0.00 0.00 +0.155 HD ATOM 13 O LIG 1 -3.042 0.367 1.017 0.00 0.00 -0.275 OA BRANCH 11 14 ATOM 14 C LIG 1 -5.783 1.375 1.417 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -5.095 1.659 2.592 0.00 0.00 +0.043 A ATOM 16 C LIG 1 -5.755 2.354 3.594 0.00 0.00 +0.112 A ATOM 17 N LIG 1 -7.035 2.776 3.504 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 -7.682 2.487 2.358 0.00 0.00 +0.112 A ATOM 19 C LIG 1 -7.109 1.798 1.301 0.00 0.00 +0.043 A ENDBRANCH 11 14 ENDBRANCH 9 10 BRANCH 9 21 ATOM 20 C LIG 1 -5.725 -2.140 -0.697 0.00 0.00 +0.008 C ATOM 21 C LIG 1 -4.278 -2.010 -1.190 0.00 0.00 -0.005 C ATOM 22 C LIG 1 -4.220 -2.571 -2.620 0.00 0.00 +0.008 C ENDBRANCH 9 21 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 C LIG 1 0.706 0.098 -0.494 0.00 0.00 +0.106 C BRANCH 23 24 ATOM 24 N LIG 1 2.140 0.352 -0.301 0.00 0.00 -0.286 NA ATOM 25 C LIG 1 2.812 -0.161 0.909 0.00 0.00 +0.033 C ATOM 26 C LIG 1 2.322 -1.548 1.374 0.00 0.00 +0.029 C ATOM 27 C LIG 1 2.523 0.854 2.034 0.00 0.00 +0.029 C ATOM 28 C LIG 1 4.362 -0.273 0.708 0.00 0.00 +0.135 C ATOM 29 N LIG 1 4.929 0.811 -0.096 0.00 0.00 -0.267 N ATOM 30 C LIG 1 4.280 1.091 -1.311 0.00 0.00 +0.234 C ATOM 31 O LIG 1 4.722 1.838 -2.187 0.00 0.00 -0.274 OA ATOM 32 C LIG 1 2.952 0.348 -1.519 0.00 0.00 +0.181 C BRANCH 29 33 ATOM 33 C LIG 1 6.312 1.143 0.103 0.00 0.00 +0.055 A ATOM 34 C LIG 1 6.831 1.563 1.344 0.00 0.00 +0.062 A ATOM 35 CL LIG 1 5.839 1.903 2.721 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 8.201 1.823 1.496 0.00 0.00 +0.022 A ATOM 37 C LIG 1 9.072 1.682 0.419 0.00 0.00 +0.002 A ATOM 38 C LIG 1 8.575 1.291 -0.818 0.00 0.00 +0.002 A ATOM 39 C LIG 1 7.210 1.028 -0.974 0.00 0.00 +0.025 A ENDBRANCH 29 33 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11