REMARK Name = BDB031762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.974 0.948 -1.938 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.216 -0.226 -2.107 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.065 -0.285 -1.545 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.642 0.770 -0.853 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.930 0.294 -0.448 0.00 0.00 +0.152 A ATOM 6 N LIG 1 2.123 -0.964 -0.858 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.094 1.962 -0.716 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.001 -1.279 -1.518 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.930 -2.203 -1.927 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.385 2.030 -1.262 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.710 -2.175 1.004 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -3.631 -1.005 0.238 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.365 -0.920 -0.939 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.499 0.145 -1.993 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.379 1.038 -2.491 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.490 -0.435 -2.975 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.839 -1.690 -2.508 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.496 -2.286 -2.987 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.889 0.120 -3.985 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.505 1.606 -1.648 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.188 -1.994 -1.311 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -5.307 -3.149 -0.571 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -4.551 -3.230 0.601 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -2.007 -1.474 2.508 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.023 -2.411 2.166 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.781 1.072 0.262 0.00 0.00 -0.293 N ATOM 27 H LIG 1 2.491 2.020 0.489 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 4.076 0.842 0.780 0.00 0.00 +0.095 A ATOM 29 C LIG 1 4.730 1.863 1.495 0.00 0.00 +0.236 A ATOM 30 N LIG 1 5.966 1.767 2.035 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 6.601 0.588 1.865 0.00 0.00 +0.118 A ATOM 32 C LIG 1 6.057 -0.501 1.194 0.00 0.00 -0.030 A ATOM 33 C LIG 1 6.835 -1.766 1.014 0.00 0.00 +0.045 C ATOM 34 C LIG 1 4.780 -0.354 0.638 0.00 0.00 +0.033 A BRANCH 29 35 ATOM 35 O LIG 1 4.019 3.051 1.635 0.00 0.00 -0.478 OA ATOM 36 C LIG 1 4.741 4.043 2.357 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5