REMARK Name = BDB005909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.838 0.050 -1.003 0.00 0.00 -0.310 N ATOM 2 C LIG 1 1.694 -0.940 -0.546 0.00 0.00 +0.096 A ATOM 3 C LIG 1 2.725 -0.224 0.059 0.00 0.00 +0.095 A ATOM 4 C LIG 1 3.766 -0.885 0.710 0.00 0.00 +0.063 A ATOM 5 C LIG 1 3.693 -2.266 0.711 0.00 0.00 +0.130 A ATOM 6 N LIG 1 2.703 -2.974 0.112 0.00 0.00 -0.240 NA ATOM 7 N LIG 1 2.551 1.123 -0.090 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 1.696 -2.339 -0.541 0.00 0.00 +0.099 A ATOM 9 C LIG 1 1.445 1.273 -0.777 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 0.887 2.448 -1.182 0.00 0.00 -0.293 N ATOM 11 C LIG 1 1.285 3.636 -0.394 0.00 0.00 +0.105 C ATOM 12 C LIG 1 0.807 4.906 -1.112 0.00 0.00 +0.139 C ATOM 13 C LIG 1 1.004 5.977 -0.053 0.00 0.00 +0.033 C ATOM 14 C LIG 1 0.654 5.272 1.263 0.00 0.00 +0.004 C ATOM 15 O LIG 1 1.525 5.154 -2.318 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 1.895 3.920 -2.972 0.00 0.00 +0.179 C ATOM 17 C LIG 1 0.589 3.769 0.952 0.00 0.00 +0.025 C ATOM 18 C LIG 1 0.963 2.726 -2.651 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 4.729 -3.074 1.383 0.00 0.00 +0.268 A ATOM 20 O LIG 1 5.736 -2.383 1.976 0.00 0.00 -0.386 OA ATOM 21 C LIG 1 6.531 -3.351 2.506 0.00 0.00 +0.436 A ATOM 22 O LIG 1 7.559 -3.163 3.132 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 5.944 -4.544 2.195 0.00 0.00 -0.208 N ATOM 24 H LIG 1 6.294 -5.458 2.447 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 4.801 -4.368 1.482 0.00 0.00 -0.128 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 0.718 -3.198 -1.184 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -0.170 -3.982 -0.435 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -1.101 -4.787 -1.084 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 -2.222 -5.724 -0.184 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 -1.113 -4.799 -2.470 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -0.262 -4.074 -3.234 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 0.643 -3.312 -2.572 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 -0.506 -0.131 -1.524 0.00 0.00 +0.128 C BRANCH 33 37 ATOM 34 C LIG 1 -4.212 -0.175 0.830 0.00 0.00 -0.011 C ATOM 35 C LIG 1 -3.919 -1.347 -0.116 0.00 0.00 +0.004 C ATOM 36 C LIG 1 -2.843 -0.981 -1.137 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.548 -0.511 -0.455 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -1.839 0.652 0.506 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -2.923 0.291 1.521 0.00 0.00 +0.004 C BRANCH 34 41 ATOM 40 C LIG 1 -5.067 -1.633 2.798 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -5.340 -0.490 1.830 0.00 0.00 -0.000 C ENDBRANCH 34 41 ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6