REMARK Name = BDB001009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 6.780 -1.252 0.562 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 5.788 -0.541 0.667 0.00 0.00 +0.244 C ATOM 3 C LIG 1 4.534 -0.816 -0.090 0.00 0.00 +0.043 A ATOM 4 C LIG 1 3.462 0.098 -0.059 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.306 -0.169 -0.813 0.00 0.00 +0.124 A ATOM 6 C LIG 1 2.228 -1.350 -1.560 0.00 0.00 +0.046 A ATOM 7 C LIG 1 3.291 -2.256 -1.573 0.00 0.00 +0.004 A ATOM 8 C LIG 1 3.609 1.380 0.728 0.00 0.00 +0.058 C ATOM 9 C LIG 1 4.553 1.182 1.907 0.00 0.00 +0.109 C ATOM 10 C LIG 1 4.445 -1.989 -0.844 0.00 0.00 +0.013 A ATOM 11 N LIG 1 5.786 0.554 1.498 0.00 0.00 -0.311 N ATOM 12 H LIG 1 6.608 0.625 2.086 0.00 0.00 +0.149 HD ENDROOT BRANCH 5 13 ATOM 13 O LIG 1 1.325 0.784 -0.755 0.00 0.00 -0.492 OA BRANCH 13 14 ATOM 14 C LIG 1 0.112 0.535 -1.465 0.00 0.00 +0.229 C BRANCH 14 15 ATOM 15 C LIG 1 -0.851 1.695 -1.216 0.00 0.00 +0.042 C BRANCH 15 16 ATOM 16 C LIG 1 -1.155 1.963 0.264 0.00 0.00 +0.019 C BRANCH 16 17 ATOM 17 C LIG 1 -1.665 0.749 1.054 0.00 0.00 +0.084 C BRANCH 17 18 ATOM 18 N LIG 1 -2.800 0.054 0.422 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 -4.025 0.870 0.447 0.00 0.00 +0.084 C ATOM 20 C LIG 1 -5.186 0.153 -0.245 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -5.442 -1.216 0.370 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -4.153 -2.026 0.413 0.00 0.00 +0.015 C ATOM 23 C LIG 1 -3.027 -1.241 1.087 0.00 0.00 +0.084 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 5 13 TORSDOF 6