REMARK Name = BDB045959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.781 -0.282 1.591 0.00 0.00 +0.126 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.217 0.899 0.829 0.00 0.00 -0.291 NA ATOM 3 C LIG 1 -2.051 2.128 1.615 0.00 0.00 +0.106 C BRANCH 2 4 ATOM 4 C LIG 1 -3.570 0.859 0.181 0.00 0.00 +0.118 C ATOM 5 C LIG 1 -4.811 0.742 1.087 0.00 0.00 -0.023 A ATOM 6 C LIG 1 -5.978 1.458 0.728 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -7.119 1.432 1.549 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -7.140 0.658 2.703 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -6.036 -0.120 3.022 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -6.053 2.155 -0.608 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -6.043 1.133 -1.749 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -4.843 0.224 -1.985 0.00 0.00 -0.042 A ATOM 13 C LIG 1 -4.914 -0.529 -3.182 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.894 -1.393 -3.567 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -2.772 -1.513 -2.768 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.684 -0.787 -1.578 0.00 0.00 +0.006 A ATOM 17 C LIG 1 -4.894 -0.090 2.213 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.713 0.068 -1.135 0.00 0.00 -0.023 A ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.245 -0.468 1.643 0.00 0.00 +0.244 C BRANCH 19 20 ATOM 20 O LIG 1 0.247 -0.837 0.355 0.00 0.00 -0.491 OA BRANCH 20 24 ATOM 21 C LIG 1 4.311 -1.502 -0.331 0.00 0.00 -0.044 A ATOM 22 C LIG 1 3.353 -1.616 -1.343 0.00 0.00 +0.007 A ATOM 23 C LIG 1 2.006 -1.381 -1.064 0.00 0.00 +0.046 A ATOM 24 C LIG 1 1.591 -1.038 0.225 0.00 0.00 +0.121 A ATOM 25 C LIG 1 2.541 -0.936 1.240 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.893 -1.166 0.964 0.00 0.00 +0.007 A BRANCH 21 27 ATOM 27 C LIG 1 5.777 -1.711 -0.630 0.00 0.00 +0.078 C BRANCH 27 28 ATOM 28 C LIG 1 6.582 -0.401 -0.681 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 C LIG 1 6.389 0.263 -2.059 0.00 0.00 +0.334 C ATOM 30 O LIG 1 7.216 0.256 -2.961 0.00 0.00 -0.248 OA BRANCH 29 31 ATOM 31 O LIG 1 5.206 0.911 -2.197 0.00 0.00 -0.479 OA ATOM 32 H LIG 1 4.598 0.834 -1.434 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 O LIG 1 7.938 -0.753 -0.381 0.00 0.00 -0.365 OA BRANCH 33 35 ATOM 34 C LIG 1 10.170 -0.124 0.173 0.00 0.00 +0.034 C ATOM 35 C LIG 1 8.779 0.378 -0.164 0.00 0.00 +0.157 C ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11