REMARK Name = BDB027516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.300 -3.321 -0.206 0.00 0.00 +0.247 C ATOM 2 N LIG 1 0.915 -3.192 -0.273 0.00 0.00 -0.296 N ATOM 3 C LIG 1 0.208 -1.926 -0.545 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -1.015 -2.146 -1.456 0.00 0.00 +0.090 C ATOM 5 C LIG 1 -2.010 -3.156 -0.863 0.00 0.00 +0.025 C ATOM 6 C LIG 1 -1.338 -4.156 0.083 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.117 -4.416 -0.289 0.00 0.00 +0.108 C ATOM 8 O LIG 1 2.876 -4.405 -0.285 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.785 0.139 0.312 0.00 0.00 +0.034 A ATOM 10 C LIG 1 3.693 -0.072 1.158 0.00 0.00 +0.024 A ATOM 11 C LIG 1 2.874 -1.196 0.997 0.00 0.00 +0.015 A ATOM 12 C LIG 1 3.134 -2.109 -0.028 0.00 0.00 +0.037 A ATOM 13 C LIG 1 4.237 -1.923 -0.862 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.053 -0.799 -0.696 0.00 0.00 +0.024 A BRANCH 9 16 ATOM 15 C LIG 1 5.585 2.290 1.306 0.00 0.00 +0.241 C ATOM 16 N LIG 1 5.657 1.244 0.408 0.00 0.00 -0.282 N ATOM 17 H LIG 1 6.411 1.261 -0.264 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 4.751 2.459 2.185 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 6.791 4.361 1.873 0.00 0.00 +0.013 C ATOM 20 C LIG 1 6.691 3.271 1.100 0.00 0.00 +0.060 C ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 N LIG 1 -1.656 -0.916 -1.911 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -2.251 -1.011 -2.727 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.328 -0.095 -1.031 0.00 0.00 +0.216 A ATOM 24 N LIG 1 -3.347 0.592 -1.562 0.00 0.00 -0.214 NA ATOM 25 C LIG 1 -4.036 1.423 -0.768 0.00 0.00 +0.077 A ATOM 26 C LIG 1 -3.728 1.587 0.584 0.00 0.00 +0.019 A ATOM 27 C LIG 1 -4.462 2.466 1.402 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.521 3.191 0.860 0.00 0.00 +0.016 A ATOM 29 C LIG 1 -5.841 3.036 -0.492 0.00 0.00 +0.061 A ATOM 30 C LIG 1 -2.664 0.825 1.033 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -5.095 2.155 -1.288 0.00 0.00 +0.043 A ATOM 32 N LIG 1 -1.962 -0.016 0.251 0.00 0.00 -0.222 NA BRANCH 29 33 ATOM 33 C LIG 1 -6.956 3.778 -1.126 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -7.300 3.691 -2.290 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -7.590 4.596 -0.269 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -8.288 5.015 -0.816 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 7