REMARK Name = BDB048196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.118 -0.767 -0.776 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.463 -0.821 -1.151 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.192 0.339 -1.485 0.00 0.00 -0.024 A ATOM 4 C LIG 1 -1.541 1.588 -1.433 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -0.185 1.629 -1.062 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.519 0.466 -0.737 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.438 -1.982 -0.489 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.781 -2.016 0.002 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.782 -2.071 -1.151 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 5.126 -4.500 -1.188 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.113 -3.112 -0.696 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.183 -2.095 -0.666 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.738 -0.982 -0.075 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.970 -1.350 0.225 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.264 -2.643 -0.128 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.032 -0.583 0.871 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.792 0.746 1.253 0.00 0.00 +0.013 A ATOM 18 C LIG 1 7.787 1.504 1.876 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.037 0.942 2.124 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.293 -0.376 1.750 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.297 -1.134 1.128 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -3.649 0.174 -1.843 0.00 0.00 +0.143 C BRANCH 22 23 ATOM 23 N LIG 1 -4.454 0.087 -0.652 0.00 0.00 -0.277 N ATOM 24 H LIG 1 -4.201 -0.568 0.074 0.00 0.00 +0.152 HD ATOM 25 C LIG 1 -5.751 0.496 -0.631 0.00 0.00 +0.401 C ATOM 26 O LIG 1 -6.306 1.129 -1.515 0.00 0.00 -0.226 OA BRANCH 25 27 ATOM 27 O LIG 1 -6.319 0.088 0.528 0.00 0.00 -0.448 OA BRANCH 27 28 ATOM 28 C LIG 1 -7.700 0.452 0.718 0.00 0.00 +0.172 C ATOM 29 C LIG 1 -8.597 -0.573 0.035 0.00 0.00 +0.052 C ATOM 30 C LIG 1 -7.955 0.477 2.220 0.00 0.00 +0.052 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 23 ENDBRANCH 3 22 BRANCH 4 31 ATOM 31 C LIG 1 -2.234 2.902 -1.736 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -3.055 3.436 -0.570 0.00 0.00 +0.125 C BRANCH 32 33 ATOM 33 C LIG 1 -2.176 3.992 0.520 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -1.814 5.157 0.574 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.798 3.073 1.436 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -2.099 2.167 1.224 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 13