REMARK Name = BDB049379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.188 -0.738 -1.132 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -1.141 0.025 -0.488 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -2.280 -0.739 -0.348 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.956 -1.946 -0.956 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -2.905 -2.978 -1.005 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.168 -2.767 -0.431 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.469 -1.540 0.176 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.531 -0.500 0.232 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.674 -1.926 -1.434 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.161 -3.819 -0.484 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.764 -4.393 0.614 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.662 -4.207 2.074 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.636 -5.350 0.196 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -6.611 -5.432 -1.183 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.722 -4.516 -1.587 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.447 -4.335 -3.032 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 1.209 -0.295 -1.435 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 2.228 -1.159 -0.689 0.00 0.00 +0.046 C BRANCH 18 22 ATOM 19 C LIG 1 6.260 0.244 -1.392 0.00 0.00 +0.124 A ATOM 20 C LIG 1 5.488 0.828 -0.386 0.00 0.00 +0.091 A ATOM 21 C LIG 1 4.189 0.365 -0.135 0.00 0.00 +0.127 A ATOM 22 C LIG 1 3.640 -0.669 -0.910 0.00 0.00 -0.005 A ATOM 23 C LIG 1 4.420 -1.245 -1.921 0.00 0.00 +0.011 A ATOM 24 C LIG 1 5.720 -0.794 -2.153 0.00 0.00 +0.046 A BRANCH 19 26 ATOM 25 C LIG 1 8.147 1.635 -0.981 0.00 0.00 +0.277 C ATOM 26 O LIG 1 7.537 0.596 -1.735 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 3.375 0.927 0.817 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 4.030 1.220 2.049 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 -1.000 1.402 -0.042 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 C LIG 1 -0.385 1.490 1.363 0.00 0.00 +0.106 C BRANCH 30 31 ATOM 31 N LIG 1 -0.219 2.835 1.931 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 -1.470 3.592 2.113 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -1.610 4.781 1.149 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -0.525 5.714 1.228 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 0.709 5.119 1.652 0.00 0.00 +0.175 C ATOM 36 C LIG 1 0.819 3.637 1.262 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9