REMARK Name = BDB043208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.860 2.215 0.176 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -1.629 2.105 -0.333 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.909 1.021 -0.031 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.370 0.015 0.722 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.615 0.096 1.213 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -3.387 1.217 0.973 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -3.123 -0.938 2.023 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -4.395 -1.534 1.558 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -4.161 -2.619 0.477 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -3.202 -3.683 0.846 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -3.759 -4.602 1.835 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.948 -3.055 1.328 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.131 -1.965 2.415 0.00 0.00 +0.122 C ENDBRANCH 5 7 BRANCH 1 14 ATOM 14 N LIG 1 -3.651 3.366 -0.055 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -4.616 3.108 -0.207 0.00 0.00 +0.155 HD BRANCH 14 21 ATOM 16 C LIG 1 -3.817 7.900 -2.026 0.00 0.00 +0.065 C ATOM 17 C LIG 1 -3.444 6.609 -1.412 0.00 0.00 +0.035 A ATOM 18 N LIG 1 -2.160 6.308 -1.056 0.00 0.00 -0.280 N ATOM 19 H LIG 1 -1.330 6.882 -1.151 0.00 0.00 +0.189 HD ATOM 20 N LIG 1 -2.024 5.096 -0.507 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 -3.252 4.573 -0.521 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -4.180 5.496 -1.069 0.00 0.00 +0.068 A ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 N LIG 1 0.367 1.012 -0.589 0.00 0.00 -0.284 N ATOM 24 H LIG 1 0.491 1.890 -1.076 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 1.486 0.188 -0.457 0.00 0.00 +0.034 A ATOM 26 C LIG 1 1.535 -0.933 0.375 0.00 0.00 +0.024 A ATOM 27 C LIG 1 2.675 -1.746 0.438 0.00 0.00 +0.017 A ATOM 28 C LIG 1 3.795 -1.458 -0.346 0.00 0.00 +0.059 A ATOM 29 C LIG 1 3.759 -0.348 -1.195 0.00 0.00 +0.017 A ATOM 30 C LIG 1 2.615 0.458 -1.249 0.00 0.00 +0.024 A BRANCH 28 31 ATOM 31 C LIG 1 4.980 -2.352 -0.243 0.00 0.00 +0.339 C ATOM 32 O LIG 1 5.029 -3.323 0.496 0.00 0.00 -0.245 OA BRANCH 31 33 ATOM 33 O LIG 1 5.967 -1.930 -1.071 0.00 0.00 -0.458 OA BRANCH 33 34 ATOM 34 C LIG 1 7.176 -2.712 -1.065 0.00 0.00 +0.171 C ATOM 35 C LIG 1 7.860 -2.490 -2.409 0.00 0.00 +0.052 C ATOM 36 C LIG 1 8.074 -2.254 0.079 0.00 0.00 +0.052 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 8