REMARK Name = BDB000353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.416 1.147 -0.141 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.233 0.163 -1.346 0.00 0.00 -0.014 C ATOM 3 C LIG 1 1.061 0.589 -2.566 0.00 0.00 +0.007 C ATOM 4 C LIG 1 0.532 -1.301 -1.011 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.619 0.897 0.988 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 -2.061 1.024 0.554 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -2.897 -0.096 0.499 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -4.235 0.013 0.085 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -4.787 1.272 -0.255 0.00 0.00 -0.000 A ATOM 10 C LIG 1 -3.924 2.386 -0.186 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -2.588 2.265 0.207 0.00 0.00 +0.004 A BRANCH 9 12 ATOM 12 C LIG 1 -6.263 1.442 -0.693 0.00 0.00 -0.009 C ATOM 13 C LIG 1 -6.542 0.638 -1.983 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -7.221 0.983 0.431 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -6.652 2.911 -1.011 0.00 0.00 +0.015 C ENDBRANCH 9 12 BRANCH 8 16 ATOM 16 O LIG 1 -5.070 -1.073 0.028 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 -4.469 -2.354 -0.151 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -5.553 -3.334 -0.525 0.00 0.00 -0.008 A ATOM 19 C LIG 1 -5.502 -4.043 -1.729 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -6.522 -4.936 -2.017 0.00 0.00 +0.111 A ATOM 21 N LIG 1 -7.571 -5.171 -1.200 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 -7.605 -4.473 -0.045 0.00 0.00 +0.111 A ATOM 23 C LIG 1 -6.634 -3.560 0.333 0.00 0.00 +0.026 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 1.867 1.116 0.423 0.00 0.00 +0.025 C BRANCH 24 25 ATOM 25 C LIG 1 2.205 2.190 1.486 0.00 0.00 +0.080 C BRANCH 25 26 ATOM 26 N LIG 1 1.939 3.532 0.954 0.00 0.00 -0.325 NA ATOM 27 H LIG 1 2.522 3.720 0.141 0.00 0.00 +0.119 HD ATOM 28 H LIG 1 2.177 4.234 1.655 0.00 0.00 +0.119 HD ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 3.655 2.043 2.056 0.00 0.00 +0.132 C BRANCH 29 30 ATOM 30 O LIG 1 3.770 0.780 2.708 0.00 0.00 -0.390 OA ATOM 31 H LIG 1 4.016 0.101 2.056 0.00 0.00 +0.210 HD ENDBRANCH 29 30 BRANCH 29 32 ATOM 32 C LIG 1 4.777 2.237 1.018 0.00 0.00 +0.045 C BRANCH 32 33 ATOM 33 C LIG 1 6.222 2.091 1.547 0.00 0.00 +0.074 C ATOM 34 C LIG 1 6.535 3.104 2.648 0.00 0.00 +0.017 C BRANCH 33 37 ATOM 35 N LIG 1 6.247 -0.304 1.063 0.00 0.00 -0.315 N ATOM 36 H LIG 1 6.229 0.002 0.099 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 6.572 0.668 1.994 0.00 0.00 +0.216 C ATOM 38 O LIG 1 7.122 0.411 3.060 0.00 0.00 -0.276 OA BRANCH 35 39 ATOM 39 C LIG 1 6.611 -1.689 1.298 0.00 0.00 +0.104 C BRANCH 39 40 ATOM 40 C LIG 1 5.750 -2.658 0.491 0.00 0.00 +0.018 C BRANCH 40 42 ATOM 41 C LIG 1 7.261 -2.749 -1.567 0.00 0.00 +0.004 C ATOM 42 C LIG 1 5.856 -2.522 -1.031 0.00 0.00 -0.002 C ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 35 39 ENDBRANCH 33 37 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 18