REMARK Name = BDB001154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.417 1.441 1.472 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.316 2.250 1.653 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.699 2.669 0.686 0.00 0.00 +0.099 C ATOM 4 C LIG 1 1.114 4.052 1.202 0.00 0.00 +0.013 C ATOM 5 C LIG 1 2.528 4.288 0.696 0.00 0.00 +0.007 C ATOM 6 C LIG 1 3.041 2.929 0.223 0.00 0.00 +0.024 C ATOM 7 C LIG 1 1.018 3.897 2.725 0.00 0.00 +0.024 C ATOM 8 C LIG 1 2.034 1.875 0.720 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -0.168 2.962 2.915 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -2.129 1.110 2.428 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 2.048 0.655 -0.078 0.00 0.00 -0.307 N ATOM 12 H LIG 1 1.206 0.074 -0.045 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 3.219 -0.088 -0.173 0.00 0.00 +0.244 C ATOM 14 O LIG 1 4.304 0.293 0.255 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 3.115 -1.440 -0.793 0.00 0.00 +0.039 A ATOM 16 C LIG 1 2.139 -1.725 -1.763 0.00 0.00 +0.040 A ATOM 17 C LIG 1 2.085 -3.039 -2.236 0.00 0.00 +0.067 A ATOM 18 C LIG 1 2.965 -4.037 -1.831 0.00 0.00 +0.089 A ATOM 19 N LIG 1 2.673 -5.228 -2.450 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 1.631 -4.975 -3.209 0.00 0.00 +0.197 A ATOM 21 C LIG 1 3.969 -3.729 -0.902 0.00 0.00 +0.030 A ATOM 22 N LIG 1 1.237 -3.670 -3.111 0.00 0.00 -0.344 N ATOM 23 H LIG 1 0.440 -3.254 -3.569 0.00 0.00 +0.167 HD ATOM 24 C LIG 1 4.030 -2.425 -0.388 0.00 0.00 +0.015 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 25 ATOM 25 C LIG 1 -1.800 0.991 0.039 0.00 0.00 +0.164 C BRANCH 25 27 ATOM 26 C LIG 1 -1.261 -1.395 0.215 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -2.223 -0.409 0.163 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -3.035 -0.569 0.750 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -0.066 -1.138 0.073 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -1.790 -2.818 0.483 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -1.557 -3.132 1.959 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -1.514 -5.121 -0.307 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -1.107 -3.732 -0.454 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -0.097 -3.656 -0.297 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -2.916 1.873 -0.614 0.00 0.00 -0.011 C ATOM 36 C LIG 1 -4.220 1.896 0.210 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -2.441 3.328 -0.792 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -3.244 1.317 -2.018 0.00 0.00 +0.013 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 7