REMARK Name = BDB008157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.315 0.229 0.119 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.745 -0.096 -0.067 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.555 0.297 -0.644 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.463 0.148 -1.643 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 2.854 -0.351 1.133 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.918 -0.249 -1.056 0.00 0.00 +0.156 C ATOM 7 C LIG 1 3.807 -1.583 -1.781 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 6.919 0.999 0.874 0.00 0.00 +0.109 C ATOM 9 C LIG 1 5.798 1.031 -0.130 0.00 0.00 +0.211 C ATOM 10 N LIG 1 5.164 -0.180 -0.300 0.00 0.00 -0.304 N ATOM 11 H LIG 1 5.219 -0.819 0.486 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 5.487 2.054 -0.730 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.297 -1.170 -0.107 0.00 0.00 +0.234 C ATOM 14 N LIG 1 -1.137 -1.597 0.902 0.00 0.00 -0.300 N ATOM 15 H LIG 1 -1.532 -0.874 1.497 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -0.088 -1.828 -1.125 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.005 -2.765 0.691 0.00 0.00 +0.187 C BRANCH 17 18 ATOM 18 C LIG 1 -3.323 -2.217 0.133 0.00 0.00 +0.233 C ATOM 19 O LIG 1 -3.861 -1.201 0.569 0.00 0.00 -0.274 OA ATOM 20 N LIG 1 -3.898 -2.937 -0.875 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -3.326 -3.525 -1.469 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -4.704 -2.508 -1.315 0.00 0.00 +0.145 HD ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 -2.245 -3.494 2.025 0.00 0.00 +0.141 C ATOM 24 C LIG 1 -3.075 -4.762 1.873 0.00 0.00 +0.040 C BRANCH 23 25 ATOM 25 O LIG 1 -0.985 -3.880 2.593 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -0.371 -3.133 2.458 0.00 0.00 +0.210 HD ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 27 ATOM 27 C LIG 1 -0.683 1.297 -0.339 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 -0.229 2.712 0.042 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 -1.214 3.781 -0.435 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 -2.487 3.628 0.253 0.00 0.00 -0.356 N ATOM 31 H LIG 1 -2.397 3.674 1.261 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.589 4.282 -0.183 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -3.664 4.968 -1.261 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -4.596 5.373 -1.349 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -4.622 4.108 0.664 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -5.524 4.355 0.277 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -4.649 3.167 1.042 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 14