REMARK Name = BDB034636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.320 0.200 0.177 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -1.508 0.983 0.279 0.00 0.00 +0.267 C ATOM 3 O LIG 1 -1.423 2.167 0.634 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.872 0.768 0.872 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.220 0.500 0.180 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.377 1.044 1.024 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.332 0.589 2.485 0.00 0.00 +0.093 C ATOM 8 N LIG 1 2.039 0.887 3.103 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 2.023 0.551 4.066 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 0.918 0.311 2.354 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.766 0.862 0.407 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.302 -0.389 0.144 0.00 0.00 -0.294 N ATOM 13 C LIG 1 6.652 -0.440 -0.464 0.00 0.00 +0.099 C ATOM 14 C LIG 1 7.737 -0.275 0.606 0.00 0.00 +0.030 C ATOM 15 C LIG 1 6.853 -1.741 -1.266 0.00 0.00 +0.182 C ATOM 16 O LIG 1 6.655 -2.932 -0.496 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 5.596 -2.837 0.463 0.00 0.00 +0.179 C ATOM 18 C LIG 1 4.617 -1.684 0.216 0.00 0.00 +0.136 C ATOM 19 O LIG 1 5.426 1.882 0.170 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 1 4 BRANCH 2 20 ATOM 20 C LIG 1 -2.910 0.457 0.001 0.00 0.00 +0.146 A ATOM 21 C LIG 1 -4.041 1.260 0.276 0.00 0.00 +0.059 A ATOM 22 C LIG 1 -5.302 0.709 -0.018 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -5.456 -0.565 -0.584 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -4.265 -1.248 -0.808 0.00 0.00 +0.115 A ATOM 25 N LIG 1 -3.023 -0.786 -0.531 0.00 0.00 -0.248 NA BRANCH 23 26 ATOM 26 C LIG 1 -6.791 -1.194 -0.929 0.00 0.00 +0.021 C ATOM 27 C LIG 1 -8.002 -0.983 -0.052 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -7.949 -0.356 -1.416 0.00 0.00 +0.009 C ENDBRANCH 23 26 BRANCH 21 29 ATOM 29 N LIG 1 -3.951 2.525 0.922 0.00 0.00 -0.339 N ATOM 30 H LIG 1 -2.977 2.865 0.902 0.00 0.00 +0.146 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.002 3.532 0.804 0.00 0.00 +0.071 C ATOM 32 C LIG 1 -5.224 4.284 -0.477 0.00 0.00 +0.024 C ATOM 33 C LIG 1 -4.644 4.989 0.713 0.00 0.00 +0.024 C ENDBRANCH 29 31 ENDBRANCH 21 29 ENDBRANCH 2 20 BRANCH 1 34 ATOM 34 C LIG 1 -0.304 -1.230 -0.176 0.00 0.00 +0.111 C BRANCH 34 36 ATOM 35 C LIG 1 0.861 -1.110 -2.458 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.397 -1.517 -1.692 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -0.668 -3.007 -1.915 0.00 0.00 +0.009 C ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 8