REMARK Name = BDB011361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.270 0.190 -0.970 0.00 0.00 +0.074 A ATOM 2 N LIG 1 0.663 0.108 0.295 0.00 0.00 -0.337 N ATOM 3 C LIG 1 -0.685 0.180 0.099 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -1.930 0.147 0.916 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.947 0.460 -0.151 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -2.348 0.546 -1.440 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -2.853 0.744 -2.530 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -0.940 0.385 -1.225 0.00 0.00 +0.078 A ATOM 9 C LIG 1 0.265 0.383 -1.921 0.00 0.00 +0.090 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.308 0.655 0.105 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -5.244 0.712 -0.864 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.598 0.883 -0.604 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -7.517 0.905 -1.733 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -7.107 0.999 0.691 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -8.301 1.120 0.950 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -6.075 0.974 1.772 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.591 1.174 3.404 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.777 0.819 1.474 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.180 -1.205 1.569 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.307 -1.302 2.966 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.544 -2.535 3.580 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.657 -3.686 2.805 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.944 -5.202 3.562 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.538 -3.614 1.420 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.303 -2.381 0.805 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 27 ATOM 26 C LIG 1 3.571 1.197 -1.078 0.00 0.00 +0.228 A ATOM 27 C LIG 1 2.715 0.118 -1.189 0.00 0.00 +0.079 A ATOM 28 C LIG 1 3.338 -1.056 -1.536 0.00 0.00 +0.129 A ATOM 29 N LIG 1 4.667 -1.172 -1.732 0.00 0.00 -0.222 NA ATOM 30 C LIG 1 5.426 -0.070 -1.597 0.00 0.00 +0.220 A ATOM 31 N LIG 1 4.904 1.122 -1.266 0.00 0.00 -0.179 NA BRANCH 30 32 ATOM 32 N LIG 1 6.807 -0.175 -1.772 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.226 -1.339 -2.538 0.00 0.00 +0.132 C ATOM 34 C LIG 1 7.470 1.081 -2.083 0.00 0.00 +0.132 C ENDBRANCH 30 32 BRANCH 26 36 ATOM 35 C LIG 1 3.945 3.488 -0.735 0.00 0.00 +0.279 C ATOM 36 O LIG 1 3.013 2.412 -0.716 0.00 0.00 -0.479 OA ENDBRANCH 26 36 ENDBRANCH 1 27 BRANCH 2 37 ATOM 37 C LIG 1 1.391 -0.016 1.562 0.00 0.00 +0.082 C ATOM 38 C LIG 1 1.466 -1.465 2.037 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.888 0.926 2.655 0.00 0.00 +0.030 C ENDBRANCH 2 37 BRANCH 9 40 ATOM 40 C LIG 1 0.452 0.556 -3.328 0.00 0.00 +0.102 C ATOM 41 N LIG 1 0.633 0.681 -4.468 0.00 0.00 -0.191 NA ENDBRANCH 9 40 TORSDOF 7