REMARK Name = BDB008185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.835 0.370 0.254 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 0.250 0.392 1.558 0.00 0.00 -0.303 N ATOM 3 H LIG 1 0.027 -0.587 1.708 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -0.508 1.066 0.623 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.147 2.116 0.093 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 1.650 0.737 1.777 0.00 0.00 +0.156 C ATOM 7 C LIG 1 1.973 0.742 3.264 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 N LIG 1 3.813 0.065 0.822 0.00 0.00 -0.311 N ATOM 9 H LIG 1 4.136 0.947 1.200 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 2.510 -0.322 1.058 0.00 0.00 +0.233 C ATOM 11 O LIG 1 2.069 -1.435 0.769 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 4.808 -0.847 0.255 0.00 0.00 +0.072 C BRANCH 12 14 ATOM 13 C LIG 1 6.411 -2.739 0.954 0.00 0.00 +0.006 C ATOM 14 C LIG 1 5.420 -1.677 1.400 0.00 0.00 +0.019 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 5.844 -0.030 -0.540 0.00 0.00 +0.019 C ATOM 16 C LIG 1 6.326 -0.737 -1.800 0.00 0.00 +0.006 C ENDBRANCH 12 15 ENDBRANCH 8 12 ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 17 ATOM 17 N LIG 1 -2.728 1.385 -0.298 0.00 0.00 -0.302 N ATOM 18 H LIG 1 -2.334 1.922 -1.064 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 -3.627 2.041 0.516 0.00 0.00 +0.234 C ATOM 20 O LIG 1 -3.893 1.667 1.659 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 C LIG 1 -4.288 3.282 -0.114 0.00 0.00 +0.156 C ATOM 22 C LIG 1 -3.281 4.418 -0.253 0.00 0.00 +0.038 C BRANCH 21 23 ATOM 23 N LIG 1 -5.403 3.673 0.739 0.00 0.00 -0.304 N ATOM 24 H LIG 1 -5.427 3.261 1.668 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -6.460 4.410 0.274 0.00 0.00 +0.211 C ATOM 26 O LIG 1 -6.537 4.829 -0.877 0.00 0.00 -0.276 OA ATOM 27 C LIG 1 -7.539 4.663 1.292 0.00 0.00 +0.109 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 1 17 BRANCH 1 28 ATOM 28 C LIG 1 -1.561 -0.739 -0.767 0.00 0.00 +0.033 C BRANCH 28 29 ATOM 29 C LIG 1 -2.787 -1.633 -0.991 0.00 0.00 +0.023 C BRANCH 29 30 ATOM 30 C LIG 1 -2.526 -2.723 -2.031 0.00 0.00 +0.115 C BRANCH 30 31 ATOM 31 N LIG 1 -1.481 -3.620 -1.563 0.00 0.00 -0.356 N ATOM 32 H LIG 1 -1.668 -4.009 -0.647 0.00 0.00 +0.162 HD BRANCH 31 33 ATOM 33 C LIG 1 -0.920 -4.526 -2.395 0.00 0.00 +0.188 C ATOM 34 N LIG 1 -1.164 -4.632 -3.647 0.00 0.00 -0.269 NA ATOM 35 H LIG 1 -0.625 -5.404 -4.040 0.00 0.00 +0.190 HD BRANCH 33 36 ATOM 36 N LIG 1 -0.042 -5.308 -1.736 0.00 0.00 -0.370 N ATOM 37 H LIG 1 0.480 -4.783 -1.042 0.00 0.00 +0.159 HD ATOM 38 H LIG 1 0.593 -5.817 -2.337 0.00 0.00 +0.159 HD ENDBRANCH 33 36 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 15