REMARK Name = BDB016694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.810 -0.890 -2.351 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.526 0.459 -2.061 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.279 0.782 -1.515 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.295 -0.161 -1.251 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.203 0.584 -0.698 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.488 1.898 -0.661 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.558 -1.505 -1.573 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.740 1.978 -1.135 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.176 2.891 -1.181 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.807 -1.845 -2.117 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.245 0.001 1.534 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.831 -0.662 0.369 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.585 -0.544 -0.789 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.445 -1.105 -2.177 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.147 -1.280 -2.938 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.670 -0.596 -2.902 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.379 0.184 -2.005 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.247 0.636 -2.246 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.955 -0.837 -4.063 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.905 -2.485 -2.418 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.759 0.222 -0.755 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.199 0.885 0.371 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.424 0.770 1.529 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.762 0.488 3.814 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.418 -0.183 2.609 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.089 0.088 -0.224 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -1.185 -1.096 0.514 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -2.430 -1.554 0.956 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -3.598 -0.839 0.675 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -3.507 0.350 -0.046 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.260 0.810 -0.489 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 O LIG 1 -4.739 -1.404 1.172 0.00 0.00 -0.491 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.997 -0.794 0.868 0.00 0.00 +0.244 C BRANCH 33 34 ATOM 34 C LIG 1 -6.344 0.290 1.905 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 N LIG 1 -7.631 0.981 1.758 0.00 0.00 -0.295 NA ATOM 36 C LIG 1 -8.813 0.106 1.826 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -9.527 -0.062 0.474 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -9.943 1.179 -0.112 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -9.128 2.293 0.278 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -7.681 1.888 0.599 0.00 0.00 +0.112 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 7