REMARK Name = BDB008132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.186 0.327 0.567 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.355 -1.575 0.911 0.00 0.00 +0.231 C ATOM 3 N LIG 1 -0.187 -0.919 1.239 0.00 0.00 -0.303 N ATOM 4 H LIG 1 0.593 -1.509 1.533 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -2.252 -1.076 0.232 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -1.417 -3.025 1.391 0.00 0.00 +0.200 C BRANCH 6 9 ATOM 7 C LIG 1 -1.572 -4.903 -1.891 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.957 -4.160 -0.734 0.00 0.00 +0.210 C ATOM 9 N LIG 1 -1.844 -3.855 0.274 0.00 0.00 -0.307 N ATOM 10 H LIG 1 -2.817 -3.759 0.012 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.234 -3.856 -0.717 0.00 0.00 -0.276 OA ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 12 ATOM 12 C LIG 1 -0.721 1.502 1.028 0.00 0.00 +0.234 C ATOM 13 N LIG 1 -0.584 2.666 0.302 0.00 0.00 -0.303 N ATOM 14 H LIG 1 -0.107 2.662 -0.593 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -1.428 1.460 2.035 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 -1.414 3.834 0.565 0.00 0.00 +0.156 C ATOM 17 C LIG 1 -0.851 4.669 1.708 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 18 C LIG 1 -1.474 4.656 -0.734 0.00 0.00 +0.231 C ATOM 19 O LIG 1 -0.782 4.405 -1.720 0.00 0.00 -0.274 OA ATOM 20 N LIG 1 -2.343 5.710 -0.743 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -2.458 6.193 -1.625 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -3.091 5.784 -0.066 0.00 0.00 +0.145 HD ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 1 12 BRANCH 1 23 ATOM 23 C LIG 1 0.254 0.114 -0.961 0.00 0.00 +0.033 C BRANCH 23 24 ATOM 24 C LIG 1 1.559 0.552 -1.642 0.00 0.00 +0.023 C BRANCH 24 25 ATOM 25 C LIG 1 2.867 0.012 -1.053 0.00 0.00 +0.115 C BRANCH 25 26 ATOM 26 N LIG 1 2.784 -1.397 -0.700 0.00 0.00 -0.356 N ATOM 27 H LIG 1 2.160 -1.935 -1.297 0.00 0.00 +0.162 HD BRANCH 26 28 ATOM 28 C LIG 1 2.854 -1.851 0.569 0.00 0.00 +0.188 C ATOM 29 N LIG 1 2.162 -2.825 1.035 0.00 0.00 -0.269 NA ATOM 30 H LIG 1 1.587 -3.237 0.276 0.00 0.00 +0.190 HD BRANCH 28 31 ATOM 31 N LIG 1 3.693 -1.198 1.392 0.00 0.00 -0.370 N ATOM 32 H LIG 1 4.598 -1.045 0.965 0.00 0.00 +0.159 HD ATOM 33 H LIG 1 3.794 -1.726 2.253 0.00 0.00 +0.159 HD ENDBRANCH 28 31 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 12