REMARK Name = BDB023437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.258 -0.445 1.278 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.151 -1.306 1.381 0.00 0.00 +0.020 A ATOM 3 C LIG 1 0.988 -0.970 0.711 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -0.289 -1.692 0.664 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.145 -0.956 -0.134 0.00 0.00 -0.257 N ATOM 6 C LIG 1 -0.519 0.255 -0.651 0.00 0.00 +0.192 C ATOM 7 O LIG 1 -0.508 -2.749 1.223 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.871 0.180 -0.065 0.00 0.00 +0.019 A ATOM 9 C LIG 1 1.940 1.053 -0.175 0.00 0.00 +0.009 A ATOM 10 C LIG 1 3.129 0.734 0.495 0.00 0.00 +0.007 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.241 1.532 -0.184 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.458 1.778 1.189 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -2.124 2.928 1.622 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.577 3.856 0.690 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -3.405 5.268 1.219 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -2.365 3.647 -0.669 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -1.701 2.495 -1.103 0.00 0.00 +0.010 A ENDBRANCH 6 11 BRANCH 1 19 ATOM 18 C LIG 1 5.717 -0.936 0.984 0.00 0.00 +0.046 C ATOM 19 C LIG 1 4.574 -0.760 1.992 0.00 0.00 +0.085 C ATOM 20 C LIG 1 4.915 0.325 3.020 0.00 0.00 +0.046 C BRANCH 19 21 ATOM 21 O LIG 1 4.450 -1.995 2.707 0.00 0.00 -0.385 OA ATOM 22 H LIG 1 5.298 -2.173 3.147 0.00 0.00 +0.211 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 6 23 ATOM 23 O LIG 1 -0.514 0.213 -2.084 0.00 0.00 -0.342 OA BRANCH 23 24 ATOM 24 C LIG 1 0.123 -0.880 -2.735 0.00 0.00 +0.149 C ATOM 25 C LIG 1 1.577 -0.622 -3.114 0.00 0.00 +0.191 C ATOM 26 O LIG 1 1.831 -1.315 -4.348 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 0.583 -1.813 -4.845 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -0.499 -1.066 -4.104 0.00 0.00 +0.062 C ENDBRANCH 23 24 ENDBRANCH 6 23 BRANCH 5 29 ATOM 29 C LIG 1 -2.492 -1.375 -0.472 0.00 0.00 +0.146 C BRANCH 29 30 ATOM 30 C LIG 1 -3.545 -0.818 0.456 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -4.452 0.153 0.005 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -5.404 0.692 0.875 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -5.459 0.257 2.197 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -6.625 0.928 3.269 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -4.574 -0.716 2.656 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -3.622 -1.253 1.788 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 7