REMARK Name = BDB039465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.696 -0.437 -0.933 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.493 0.084 0.333 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.309 0.268 1.214 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.056 0.352 0.456 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.432 -0.089 -0.705 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.059 0.039 -0.857 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.300 0.624 0.181 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.980 1.066 1.349 0.00 0.00 +0.011 A ATOM 9 C LIG 1 2.363 0.929 1.499 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.442 -0.674 -1.633 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.274 -1.267 1.068 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.296 -1.141 0.335 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.472 -2.208 0.088 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.692 -3.051 0.598 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.327 -2.247 -0.666 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.618 -3.254 -0.677 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.954 -0.980 -1.435 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.103 0.018 -1.560 0.00 0.00 +0.041 C ATOM 19 C LIG 1 7.939 0.177 -0.304 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -1.167 0.789 0.069 0.00 0.00 +0.074 A ATOM 21 N LIG 1 -1.651 1.938 0.597 0.00 0.00 -0.229 NA ATOM 22 C LIG 1 -2.986 2.080 0.488 0.00 0.00 +0.142 A ATOM 23 C LIG 1 -3.886 1.190 -0.089 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -5.177 1.777 0.039 0.00 0.00 +0.029 A ATOM 25 C LIG 1 -5.031 2.990 0.676 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -3.372 -0.006 -0.630 0.00 0.00 -0.021 A ATOM 27 N LIG 1 -3.696 3.165 0.937 0.00 0.00 -0.330 N ATOM 28 C LIG 1 -1.977 -0.179 -0.534 0.00 0.00 +0.034 A BRANCH 26 29 ATOM 29 C LIG 1 -4.220 -1.069 -1.290 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 N LIG 1 -4.079 -2.385 -0.658 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -4.644 -2.433 0.694 0.00 0.00 +0.085 C ATOM 32 C LIG 1 -4.763 -3.926 0.966 0.00 0.00 +0.017 C ATOM 33 C LIG 1 -4.834 -4.580 -0.409 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -4.795 -3.425 -1.397 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 26 29 BRANCH 27 35 ATOM 35 C LIG 1 -3.108 4.307 1.618 0.00 0.00 +0.151 C BRANCH 35 36 ATOM 36 C LIG 1 -2.524 5.327 0.645 0.00 0.00 +0.177 C BRANCH 36 37 ATOM 37 O LIG 1 -3.546 6.130 0.055 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 -3.951 6.665 0.759 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 7 20 TORSDOF 7