REMARK Name = BDB021410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.802 -0.434 -2.808 0.00 0.00 +0.017 C ATOM 2 C LIG 1 -1.205 -0.699 -1.410 0.00 0.00 +0.007 C ATOM 3 C LIG 1 -1.841 0.152 -0.313 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -1.066 0.559 0.795 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.631 1.336 1.820 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -2.973 1.708 1.763 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -3.756 1.279 0.693 0.00 0.00 +0.037 A ATOM 8 C LIG 1 0.364 0.155 0.927 0.00 0.00 +0.247 C ATOM 9 O LIG 1 0.961 0.336 1.984 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 0.958 -0.424 -0.187 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -3.199 0.519 -0.344 0.00 0.00 +0.018 A ATOM 12 C LIG 1 0.303 -0.364 -1.486 0.00 0.00 +0.119 C ATOM 13 C LIG 1 -1.407 -2.188 -1.064 0.00 0.00 +0.017 C ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 -5.181 1.664 0.653 0.00 0.00 +0.247 C ATOM 15 N LIG 1 -6.114 0.659 0.604 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -5.976 -0.759 0.979 0.00 0.00 +0.134 C ATOM 17 C LIG 1 -7.296 -0.999 1.749 0.00 0.00 +0.171 C ATOM 18 C LIG 1 -8.132 -0.508 0.581 0.00 0.00 +0.171 C ATOM 19 O LIG 1 -7.669 -1.244 -0.571 0.00 0.00 -0.370 OA ATOM 20 O LIG 1 -7.526 -0.070 2.827 0.00 0.00 -0.370 OA ATOM 21 C LIG 1 -7.865 1.192 2.174 0.00 0.00 +0.185 C ATOM 22 C LIG 1 -6.279 -1.573 -0.278 0.00 0.00 +0.185 C ATOM 23 C LIG 1 -7.555 0.917 0.701 0.00 0.00 +0.134 C ATOM 24 O LIG 1 -5.475 2.855 0.676 0.00 0.00 -0.270 OA ENDBRANCH 7 14 BRANCH 10 25 ATOM 25 C LIG 1 2.378 -0.800 -0.123 0.00 0.00 +0.141 C BRANCH 25 26 ATOM 26 C LIG 1 3.340 0.406 -0.129 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 4.816 -0.045 0.048 0.00 0.00 +0.088 C ATOM 28 N LIG 1 5.241 -0.915 -1.073 0.00 0.00 -0.307 NA ATOM 29 H LIG 1 5.270 -0.331 -1.912 0.00 0.00 +0.123 HD ATOM 30 C LIG 1 6.581 -1.453 -0.822 0.00 0.00 +0.117 C ATOM 31 C LIG 1 7.602 -0.414 -0.428 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.204 0.833 0.082 0.00 0.00 -0.041 A ATOM 33 C LIG 1 8.173 1.769 0.469 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.529 1.459 0.375 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.927 0.216 -0.111 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.969 -0.717 -0.508 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.739 1.191 0.150 0.00 0.00 +0.056 C ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 O LIG 1 3.199 1.145 -1.354 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 2.331 1.581 -1.296 0.00 0.00 +0.210 HD ENDBRANCH 26 38 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 5