REMARK Name = BDB061812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.969 -0.454 0.978 0.00 0.00 +0.076 A ATOM 2 C LIG 1 1.870 -1.269 0.251 0.00 0.00 +0.141 A ATOM 3 C LIG 1 3.242 -1.228 0.526 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.746 -0.376 1.521 0.00 0.00 -0.037 A ATOM 5 C LIG 1 2.856 0.427 2.241 0.00 0.00 +0.006 A ATOM 6 C LIG 1 1.486 0.387 1.969 0.00 0.00 +0.027 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -0.395 -0.524 0.657 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -0.616 -1.203 -0.061 0.00 0.00 +0.155 HD BRANCH 7 15 ATOM 9 C LIG 1 -6.142 0.723 0.275 0.00 0.00 +0.161 C ATOM 10 N LIG 1 -5.050 -0.274 0.350 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -3.862 0.213 0.925 0.00 0.00 +0.149 A ATOM 12 C LIG 1 -3.916 1.197 1.911 0.00 0.00 +0.095 A ATOM 13 C LIG 1 -2.698 1.539 2.465 0.00 0.00 +0.141 A ATOM 14 N LIG 1 -1.518 1.009 2.092 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 -1.548 0.087 1.126 0.00 0.00 +0.221 A ATOM 16 N LIG 1 -5.147 1.796 2.298 0.00 0.00 -0.269 N ATOM 17 C LIG 1 -5.203 2.684 3.445 0.00 0.00 +0.138 C ATOM 18 N LIG 1 -2.685 -0.317 0.537 0.00 0.00 -0.197 NA ATOM 19 C LIG 1 -6.300 1.563 1.557 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -7.391 2.063 1.846 0.00 0.00 -0.273 OA BRANCH 10 21 ATOM 21 C LIG 1 -4.932 -1.325 -0.677 0.00 0.00 +0.076 C ATOM 22 C LIG 1 -4.273 -2.618 -0.139 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -5.018 -3.800 -0.759 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -5.948 -3.193 -1.791 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -6.285 -1.841 -1.190 0.00 0.00 +0.022 C ENDBRANCH 10 21 BRANCH 9 27 ATOM 26 C LIG 1 -4.884 2.566 -1.081 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -6.079 1.628 -0.972 0.00 0.00 +0.028 C ENDBRANCH 9 27 ENDBRANCH 7 15 ENDBRANCH 1 7 BRANCH 2 28 ATOM 28 O LIG 1 1.287 -2.064 -0.710 0.00 0.00 -0.493 OA ATOM 29 C LIG 1 2.148 -2.902 -1.472 0.00 0.00 +0.277 C ENDBRANCH 2 28 BRANCH 4 30 ATOM 30 C LIG 1 5.233 -0.313 1.792 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 6.014 0.292 0.668 0.00 0.00 +0.113 A ATOM 32 N LIG 1 5.620 1.442 0.027 0.00 0.00 -0.342 N ATOM 33 H LIG 1 4.777 1.964 0.224 0.00 0.00 +0.167 HD ATOM 34 C LIG 1 6.538 1.732 -0.950 0.00 0.00 +0.067 A ATOM 35 C LIG 1 7.486 0.717 -0.853 0.00 0.00 +0.101 A ATOM 36 C LIG 1 8.585 0.724 -1.736 0.00 0.00 +0.064 A ATOM 37 C LIG 1 8.677 1.761 -2.683 0.00 0.00 +0.015 A ATOM 38 C LIG 1 7.705 2.763 -2.752 0.00 0.00 +0.003 A ATOM 39 C LIG 1 6.609 2.769 -1.883 0.00 0.00 +0.028 A ATOM 40 N LIG 1 7.141 -0.164 0.159 0.00 0.00 -0.231 NA BRANCH 36 41 ATOM 41 C LIG 1 9.636 -0.320 -1.697 0.00 0.00 +0.244 C ATOM 42 O LIG 1 10.586 -0.302 -2.471 0.00 0.00 -0.270 OA ATOM 43 N LIG 1 9.508 -1.306 -0.763 0.00 0.00 -0.325 N ATOM 44 H LIG 1 8.725 -1.314 -0.113 0.00 0.00 +0.145 HD ATOM 45 H LIG 1 10.215 -2.023 -0.705 0.00 0.00 +0.145 HD ENDBRANCH 36 41 ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 8