REMARK Name = BDB033953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.383 2.025 1.297 0.00 0.00 +0.166 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.428 2.752 2.500 0.00 0.00 +0.213 C ATOM 3 N LIG 1 1.582 1.754 2.087 0.00 0.00 -0.304 N ATOM 4 H LIG 1 1.860 0.780 2.167 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 2.193 3.941 2.315 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 4.592 3.343 3.647 0.00 0.00 +0.013 C ATOM 7 C LIG 1 3.663 2.228 3.204 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -0.542 0.793 1.385 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.826 0.994 0.923 0.00 0.00 -0.309 N ATOM 10 H LIG 1 -1.990 1.756 0.277 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -0.161 -0.282 1.851 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.788 -0.113 0.828 0.00 0.00 +0.091 C BRANCH 12 13 ATOM 13 C LIG 1 -4.222 0.453 0.889 0.00 0.00 +0.058 C BRANCH 13 14 ATOM 14 C LIG 1 -5.293 -0.602 1.038 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -6.112 -0.940 -0.048 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -7.095 -1.921 0.086 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -7.268 -2.574 1.306 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.459 -2.245 2.392 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.476 -1.264 2.260 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 12 13 BRANCH 12 20 ATOM 20 C LIG 1 -2.524 -0.945 -0.452 0.00 0.00 +0.100 C BRANCH 20 21 ATOM 21 N LIG 1 -2.501 -0.118 -1.670 0.00 0.00 -0.328 NA ATOM 22 H LIG 1 -2.495 -0.741 -2.478 0.00 0.00 +0.118 HD ATOM 23 H LIG 1 -1.577 0.336 -1.711 0.00 0.00 +0.118 HD ENDBRANCH 20 21 ENDBRANCH 12 20 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 0.696 2.411 -0.154 0.00 0.00 +0.109 C BRANCH 24 25 ATOM 25 C LIG 1 1.216 1.278 -0.962 0.00 0.00 +0.154 A ATOM 26 N LIG 1 2.483 0.875 -0.917 0.00 0.00 -0.150 NA ATOM 27 N LIG 1 2.501 -0.203 -1.750 0.00 0.00 -0.217 N ATOM 28 C LIG 1 1.235 -0.335 -2.321 0.00 0.00 +0.130 A ATOM 29 C LIG 1 0.835 -1.288 -3.380 0.00 0.00 +0.088 C ATOM 30 N LIG 1 0.419 0.571 -1.810 0.00 0.00 -0.216 NA BRANCH 27 31 ATOM 31 C LIG 1 3.704 -0.958 -1.892 0.00 0.00 +0.067 A ATOM 32 C LIG 1 3.757 -2.190 -2.553 0.00 0.00 +0.028 A ATOM 33 C LIG 1 4.968 -2.885 -2.659 0.00 0.00 +0.002 A ATOM 34 C LIG 1 6.133 -2.363 -2.103 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.093 -1.146 -1.432 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.887 -0.450 -1.322 0.00 0.00 +0.028 A ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11