REMARK Name = BDB010261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.371 -1.034 -0.171 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.987 -0.848 -0.086 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.229 -1.664 0.732 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.097 -1.390 0.627 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 1.210 -0.386 -0.224 0.00 0.00 +0.200 A ATOM 6 N LIG 1 -0.728 -2.629 1.514 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.058 -2.697 1.441 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.062 0.046 -0.595 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.897 -1.960 0.656 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.492 0.177 -0.683 0.00 0.00 +0.282 C ATOM 11 N LIG 1 3.711 -0.340 -0.202 0.00 0.00 -0.295 N ATOM 12 C LIG 1 4.939 0.361 -0.571 0.00 0.00 +0.114 C ATOM 13 C LIG 1 6.034 0.284 0.508 0.00 0.00 -0.019 C ATOM 14 C LIG 1 5.573 0.962 1.813 0.00 0.00 +0.012 C ATOM 15 C LIG 1 7.283 1.036 0.011 0.00 0.00 +0.012 C ATOM 16 C LIG 1 6.400 -1.192 0.757 0.00 0.00 +0.009 C ATOM 17 C LIG 1 5.236 -2.170 0.585 0.00 0.00 +0.020 C ATOM 18 C LIG 1 3.839 -1.562 0.594 0.00 0.00 +0.108 C ATOM 19 O LIG 1 2.518 1.092 -1.511 0.00 0.00 -0.267 OA ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -3.163 -0.318 -1.047 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -2.698 -0.203 -1.942 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -5.406 -0.252 0.021 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.602 -0.547 -1.239 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.912 -1.888 -1.913 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -6.352 -2.079 -2.476 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -6.156 -3.592 -2.248 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.163 -3.211 -1.129 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -2.749 -3.696 2.332 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -2.211 -4.489 3.086 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.103 -3.594 2.203 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -4.312 -2.852 1.590 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -0.357 1.276 -1.320 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.383 2.479 -0.409 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -1.384 2.631 0.564 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.411 3.756 1.390 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.446 4.764 1.257 0.00 0.00 +0.055 A ATOM 37 C LIG 1 0.553 4.616 0.284 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.584 3.486 -0.539 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.491 5.976 2.153 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.723 6.558 2.175 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.196 5.684 3.451 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.375 6.958 1.783 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9