REMARK Name = BDB044603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.027 1.918 2.834 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.266 1.934 2.259 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -2.325 2.588 2.914 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -2.119 3.189 4.154 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -0.858 3.148 4.739 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.207 2.523 4.082 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.393 1.105 2.538 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.094 1.314 2.122 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.844 0.998 1.185 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.834 1.302 3.666 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 5.121 -0.571 -0.385 0.00 0.00 -0.042 A ATOM 12 C LIG 1 5.275 -0.797 0.992 0.00 0.00 +0.005 A ATOM 13 C LIG 1 4.386 -0.247 1.924 0.00 0.00 +0.013 A ATOM 14 C LIG 1 3.311 0.540 1.503 0.00 0.00 +0.037 A ATOM 15 C LIG 1 3.150 0.794 0.139 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.041 0.241 -0.788 0.00 0.00 +0.005 A BRANCH 11 18 ATOM 17 C LIG 1 7.202 -2.035 -0.837 0.00 0.00 +0.015 C ATOM 18 C LIG 1 6.078 -1.159 -1.437 0.00 0.00 -0.013 C ATOM 19 C LIG 1 5.286 -2.046 -2.422 0.00 0.00 +0.015 C ATOM 20 C LIG 1 6.759 -0.014 -2.217 0.00 0.00 +0.015 C ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 C LIG 1 -1.521 1.266 0.944 0.00 0.00 +0.250 C ATOM 22 N LIG 1 -2.747 0.633 0.837 0.00 0.00 -0.281 N ATOM 23 H LIG 1 -3.300 0.559 1.681 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 -0.627 1.272 0.103 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.274 -0.025 -0.295 0.00 0.00 +0.034 A ATOM 26 C LIG 1 -4.483 -0.717 -0.130 0.00 0.00 +0.027 A ATOM 27 C LIG 1 -5.085 -1.395 -1.202 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -4.470 -1.359 -2.457 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -3.272 -0.667 -2.630 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -2.676 -0.005 -1.555 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 -6.386 -2.132 -1.007 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -7.612 -1.232 -1.112 0.00 0.00 +0.125 C BRANCH 32 33 ATOM 33 C LIG 1 -7.877 -0.779 -2.525 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -7.725 0.368 -2.917 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -8.329 -1.765 -3.333 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -8.449 -2.626 -2.892 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 22 25 ENDBRANCH 2 21 TORSDOF 9