REMARK Name = BDB011357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.036 -0.404 -1.092 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.934 0.432 -0.886 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.173 -0.367 -0.886 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.634 -0.198 -0.701 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.092 -1.618 -0.880 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.993 -2.487 -1.161 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -0.977 -3.682 -1.401 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.178 -1.655 -1.142 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.562 -1.705 -1.281 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.438 -1.997 -0.873 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.448 -1.105 -0.920 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.786 -1.472 -0.914 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.792 -0.422 -0.976 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.199 -2.806 -0.870 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.378 -3.153 -0.885 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.089 -3.805 -0.795 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -5.501 -5.474 -0.684 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -3.811 -3.403 -0.797 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.025 0.457 0.623 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -1.799 -0.094 1.907 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -1.127 -1.422 2.138 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -2.205 0.628 3.049 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -2.818 1.873 2.933 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -3.297 2.729 4.346 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -3.038 2.428 1.682 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.644 1.728 0.541 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 30 ATOM 27 C LIG 1 6.047 0.730 -1.186 0.00 0.00 +0.321 A ATOM 28 N LIG 1 5.510 0.523 0.025 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 4.213 0.153 0.040 0.00 0.00 +0.230 A ATOM 30 C LIG 1 3.435 0.011 -1.099 0.00 0.00 +0.078 A ATOM 31 C LIG 1 4.112 0.228 -2.282 0.00 0.00 +0.131 A ATOM 32 N LIG 1 5.405 0.600 -2.355 0.00 0.00 -0.202 NA BRANCH 27 34 ATOM 33 C LIG 1 8.034 1.187 -0.047 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.364 1.119 -1.298 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 3.606 -0.097 1.259 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 4.488 0.009 2.370 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 0.899 1.885 -0.718 0.00 0.00 +0.081 C ATOM 38 C LIG 1 1.616 2.661 -1.824 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.345 2.333 0.671 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6