REMARK Name = BDB051166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.327 -0.370 2.284 0.00 0.00 +0.025 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.019 -0.829 1.665 0.00 0.00 -0.005 C BRANCH 2 3 ATOM 3 C LIG 1 -1.025 -1.204 2.783 0.00 0.00 +0.000 C ATOM 4 C LIG 1 -1.422 -0.072 3.721 0.00 0.00 +0.004 C ENDBRANCH 2 3 BRANCH 2 5 ATOM 5 C LIG 1 -0.576 0.222 0.676 0.00 0.00 +0.038 C BRANCH 5 6 ATOM 6 C LIG 1 -1.819 -0.219 -0.059 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -3.059 0.366 0.215 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -4.226 -0.038 -0.459 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -4.179 -1.075 -1.422 0.00 0.00 -0.000 A ATOM 10 C LIG 1 -2.915 -1.644 -1.684 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -1.758 -1.223 -1.022 0.00 0.00 +0.004 A BRANCH 9 12 ATOM 12 C LIG 1 -5.438 -1.579 -2.170 0.00 0.00 -0.009 C ATOM 13 C LIG 1 -6.441 -2.194 -1.170 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -6.109 -0.429 -2.952 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -5.141 -2.686 -3.216 0.00 0.00 +0.015 C ENDBRANCH 9 12 BRANCH 8 16 ATOM 16 O LIG 1 -5.450 0.517 -0.173 0.00 0.00 -0.492 OA BRANCH 16 17 ATOM 17 C LIG 1 -5.449 1.876 0.268 0.00 0.00 +0.229 C BRANCH 17 18 ATOM 18 C LIG 1 -6.866 2.447 0.172 0.00 0.00 +0.041 C BRANCH 18 19 ATOM 19 C LIG 1 -7.787 2.045 1.329 0.00 0.00 -0.000 C ATOM 20 C LIG 1 -8.107 0.561 1.390 0.00 0.00 +0.004 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 5 6 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 2.513 -0.224 1.299 0.00 0.00 +0.080 C BRANCH 21 22 ATOM 22 N LIG 1 2.818 -1.512 0.648 0.00 0.00 -0.325 NA ATOM 23 H LIG 1 2.064 -1.744 0.000 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 2.786 -2.250 1.354 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 3.773 0.315 2.040 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 4.176 -0.633 3.039 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 4.438 -1.435 2.551 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 4.988 0.580 1.134 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 4.755 1.552 -0.036 0.00 0.00 +0.074 C ATOM 30 C LIG 1 4.292 2.929 0.441 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 6.394 0.505 -1.501 0.00 0.00 -0.315 N ATOM 32 H LIG 1 5.694 -0.223 -1.577 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 6.036 1.676 -0.863 0.00 0.00 +0.216 C ATOM 34 O LIG 1 6.684 2.713 -0.953 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 7.523 0.461 -2.405 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 8.030 -0.963 -2.622 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 9.713 -0.968 -0.700 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.529 -1.664 -1.354 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 19