REMARK Name = BDB039501 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.285 -0.623 -0.517 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.945 -1.615 -1.155 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -3.283 -1.488 -1.183 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -4.034 -0.451 -0.631 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -5.401 -0.738 -0.910 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -5.449 -1.924 -1.611 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -3.342 0.579 0.039 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -4.161 -2.369 -1.766 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -1.938 0.458 0.080 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.723 0.322 -0.531 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.418 -1.029 -0.433 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.190 -1.964 -0.348 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.955 -1.134 -0.453 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.427 0.153 -0.485 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.053 0.348 -0.506 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.191 -0.772 -0.495 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.777 -2.068 -0.472 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.162 -2.261 -0.447 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.531 1.158 -0.480 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.877 3.652 0.749 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.117 2.746 0.421 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.443 2.011 1.363 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.563 2.336 2.313 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.283 1.303 1.143 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.495 1.104 2.065 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.072 0.826 -0.304 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.437 1.960 -1.257 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.884 2.369 -1.024 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -3.849 -3.631 -2.458 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -2.716 -3.572 -3.481 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -2.096 -4.748 -2.887 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -2.924 -4.582 -1.701 0.00 0.00 +0.187 C ENDBRANCH 8 29 BRANCH 7 33 ATOM 33 C LIG 1 -4.015 1.765 0.693 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -3.709 1.852 2.125 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -4.481 2.946 2.760 0.00 0.00 +0.117 C ATOM 36 C LIG 1 -4.798 1.984 3.932 0.00 0.00 +0.142 C ATOM 37 C LIG 1 -4.495 0.865 2.905 0.00 0.00 +0.117 C BRANCH 36 38 ATOM 38 O LIG 1 -6.131 2.035 4.484 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 -6.732 1.955 3.724 0.00 0.00 +0.210 HD ENDBRANCH 36 38 ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 6