REMARK Name = BDB038795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.392 -1.222 0.783 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.462 -0.148 0.491 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -2.684 -0.625 0.096 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -2.899 -1.618 0.159 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.222 1.056 0.588 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.811 0.263 -0.195 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -5.084 -0.591 -0.055 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -5.059 -1.821 -0.040 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -6.265 0.079 0.061 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -7.115 -0.469 0.098 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -6.349 1.076 -0.097 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -3.688 0.862 -1.606 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 -4.593 2.047 -1.846 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -4.363 3.258 -1.179 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.212 4.347 -1.380 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.293 4.238 -2.252 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.524 3.042 -2.929 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.676 1.951 -2.730 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 0.620 -0.578 1.619 0.00 0.00 -0.302 N ATOM 20 H LIG 1 0.631 0.438 1.611 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.447 -1.282 2.459 0.00 0.00 +0.230 C ATOM 22 O LIG 1 1.376 -2.503 2.589 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 2.465 -0.414 3.236 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 3.213 -1.248 4.196 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 3.704 -1.975 3.669 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 2.529 -1.782 4.739 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 3.416 0.355 2.304 0.00 0.00 +0.029 C BRANCH 27 28 ATOM 28 C LIG 1 4.248 -0.532 1.365 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 5.091 0.284 0.380 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 6.181 0.984 1.043 0.00 0.00 -0.356 N ATOM 31 H LIG 1 5.869 1.654 1.734 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 7.319 0.347 1.401 0.00 0.00 +0.188 C ATOM 33 N LIG 1 7.630 -0.852 1.075 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 8.528 -1.102 1.489 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 8.114 1.143 2.143 0.00 0.00 -0.370 N ATOM 36 H LIG 1 9.066 0.813 2.237 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 8.101 2.105 1.825 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 38 ATOM 38 C LIG 1 0.246 -1.834 -0.493 0.00 0.00 +0.015 C ATOM 39 C LIG 1 0.797 -0.756 -1.438 0.00 0.00 +0.010 C BRANCH 38 41 ATOM 40 C LIG 1 -0.042 -3.656 -2.269 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -0.725 -2.784 -1.222 0.00 0.00 +0.002 C ENDBRANCH 38 41 ENDBRANCH 1 38 TORSDOF 16