REMARK Name = BDB022803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.279 -1.272 -1.667 0.00 0.00 +0.014 C ATOM 2 C LIG 1 -1.324 -0.294 -1.112 0.00 0.00 -0.001 C ATOM 3 C LIG 1 -1.994 0.533 -2.239 0.00 0.00 +0.151 C ATOM 4 C LIG 1 -3.345 0.953 -1.646 0.00 0.00 +0.166 C ATOM 5 C LIG 1 -3.814 -0.330 -0.939 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -2.527 -1.069 -0.503 0.00 0.00 +0.037 C ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -4.741 -0.095 0.159 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -5.988 -0.667 0.265 0.00 0.00 +0.146 A ATOM 9 C LIG 1 -6.574 -0.212 1.439 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -7.864 -0.680 1.725 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -8.454 -1.533 0.867 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -7.774 -1.894 -0.239 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -5.635 0.656 2.059 0.00 0.00 +0.032 A ATOM 14 N LIG 1 -6.541 -1.520 -0.615 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -4.513 0.700 1.259 0.00 0.00 +0.089 A BRANCH 10 16 ATOM 16 N LIG 1 -8.574 -0.331 2.865 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -8.001 -0.116 3.669 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -9.338 -0.979 3.016 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 O LIG 1 -2.233 -0.268 -3.401 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -3.056 0.075 -3.806 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 4 21 ATOM 21 O LIG 1 -4.231 1.345 -2.696 0.00 0.00 -0.387 OA ATOM 22 H LIG 1 -4.009 2.262 -2.939 0.00 0.00 +0.210 HD ENDBRANCH 4 21 BRANCH 2 23 ATOM 23 C LIG 1 -0.687 0.679 -0.071 0.00 0.00 +0.014 C BRANCH 23 24 ATOM 24 C LIG 1 0.076 0.051 1.112 0.00 0.00 +0.036 C BRANCH 24 25 ATOM 25 C LIG 1 1.547 -0.201 0.876 0.00 0.00 -0.045 A ATOM 26 C LIG 1 2.412 0.852 0.532 0.00 0.00 +0.032 A ATOM 27 C LIG 1 3.773 0.660 0.322 0.00 0.00 +0.073 A ATOM 28 C LIG 1 4.293 -0.634 0.476 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.665 -0.814 0.260 0.00 0.00 +0.017 A ATOM 30 C LIG 1 6.495 0.263 -0.086 0.00 0.00 -0.004 A ATOM 31 C LIG 1 5.858 1.510 -0.224 0.00 0.00 +0.120 A ATOM 32 C LIG 1 3.449 -1.697 0.837 0.00 0.00 +0.010 A ATOM 33 N LIG 1 4.540 1.705 -0.021 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 2.087 -1.479 1.043 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 N LIG 1 6.594 2.644 -0.608 0.00 0.00 -0.343 N ATOM 36 H LIG 1 7.337 2.794 0.068 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 7.029 2.462 -1.506 0.00 0.00 +0.144 HD ENDBRANCH 31 35 BRANCH 30 38 ATOM 38 C LIG 1 7.976 0.058 -0.337 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.805 -0.816 0.578 0.00 0.00 +0.009 C ATOM 40 C LIG 1 8.993 0.669 0.601 0.00 0.00 +0.009 C ENDBRANCH 30 38 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 9