REMARK Name = BDB034312 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.553 -0.042 0.770 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -3.313 -0.043 1.451 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -3.144 0.168 -0.522 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -4.142 1.164 -0.726 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -4.601 1.348 -2.042 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -5.570 2.310 -2.288 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -6.112 3.103 -1.271 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -5.677 2.934 0.035 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -4.146 0.641 -3.085 0.00 0.00 -0.247 NA ATOM 10 C LIG 1 -3.221 -0.308 -2.890 0.00 0.00 +0.075 A ATOM 11 C LIG 1 -2.787 -1.030 -3.993 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -1.841 -2.044 -3.869 0.00 0.00 +0.043 A ATOM 13 CL LIG 1 -1.332 -2.917 -5.261 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 -1.312 -2.361 -2.627 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -1.736 -1.645 -1.510 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -4.701 1.971 0.299 0.00 0.00 +0.057 A ATOM 17 C LIG 1 -2.683 -0.600 -1.623 0.00 0.00 +0.022 A BRANCH 8 18 ATOM 18 O LIG 1 -6.110 3.629 1.128 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 -7.107 4.619 0.907 0.00 0.00 +0.277 C ENDBRANCH 8 18 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -1.591 1.020 1.129 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 C LIG 1 -0.147 0.604 0.845 0.00 0.00 +0.034 C BRANCH 21 22 ATOM 22 C LIG 1 0.304 -0.562 1.736 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 N LIG 1 1.734 -0.881 1.546 0.00 0.00 -0.298 NA BRANCH 23 24 ATOM 24 C LIG 1 2.266 -1.639 2.697 0.00 0.00 +0.084 C BRANCH 24 26 ATOM 25 C LIG 1 3.521 0.364 3.659 0.00 0.00 +0.005 C ATOM 26 C LIG 1 2.536 -0.765 3.932 0.00 0.00 +0.012 C ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 1.935 -1.643 0.293 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 C LIG 1 3.385 -1.702 -0.153 0.00 0.00 -0.033 A ATOM 29 C LIG 1 4.142 -0.519 -0.256 0.00 0.00 +0.015 A ATOM 30 C LIG 1 5.480 -0.576 -0.690 0.00 0.00 -0.000 A ATOM 31 C LIG 1 6.024 -1.816 -1.024 0.00 0.00 +0.046 A ATOM 32 N LIG 1 7.326 -1.594 -1.413 0.00 0.00 -0.361 N ATOM 33 H LIG 1 7.965 -2.317 -1.712 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 7.623 -0.259 -1.336 0.00 0.00 +0.083 A ATOM 35 C LIG 1 5.295 -3.007 -0.944 0.00 0.00 +0.026 A ATOM 36 C LIG 1 6.498 0.397 -0.891 0.00 0.00 +0.027 A ATOM 37 C LIG 1 3.968 -2.926 -0.506 0.00 0.00 +0.007 A ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10