REMARK Name = BDB031694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.756 -2.469 -0.325 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.153 -2.735 0.919 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.969 -1.987 1.295 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.530 -1.000 0.497 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.636 -0.491 1.251 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -2.756 -1.138 2.413 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.945 -0.741 -0.756 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.745 -2.013 2.420 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.639 -2.611 3.231 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.180 -1.484 -1.146 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.734 1.125 0.002 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.239 -0.184 0.099 0.00 0.00 +0.052 A ATOM 13 C LIG 1 3.626 -1.131 -0.838 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.308 -2.588 -1.028 0.00 0.00 +0.081 C ATOM 15 C LIG 1 1.964 -3.247 -0.792 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.131 -2.987 -2.231 0.00 0.00 +0.228 C ATOM 17 N LIG 1 4.800 -1.855 -2.661 0.00 0.00 -0.284 N ATOM 18 H LIG 1 5.425 -1.859 -3.451 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 4.179 -4.106 -2.715 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.129 -3.513 0.141 0.00 0.00 +0.031 C ATOM 21 C LIG 1 4.519 -0.753 -1.850 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.026 0.522 -1.977 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.621 1.472 -1.034 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.740 3.315 0.938 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.279 1.971 0.978 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.431 0.493 0.772 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -3.209 0.907 -0.126 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.412 1.274 1.434 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -5.218 2.101 0.639 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -6.190 2.820 1.308 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -6.388 2.756 2.638 0.00 0.00 -0.222 NA ATOM 32 C LIG 1 -5.561 1.929 3.291 0.00 0.00 +0.225 A ATOM 33 CL LIG 1 -5.777 1.827 4.981 0.00 0.00 -0.041 Cl ATOM 34 N LIG 1 -4.584 1.189 2.766 0.00 0.00 -0.199 NA BRANCH 29 35 ATOM 35 O LIG 1 -4.957 2.134 -0.704 0.00 0.00 -0.490 OA ATOM 36 C LIG 1 -5.856 2.889 -1.510 0.00 0.00 +0.277 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5