REMARK Name = BDB043092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.995 1.116 0.332 0.00 0.00 +0.159 C ATOM 2 C LIG 1 2.556 0.606 0.536 0.00 0.00 +0.236 C ATOM 3 O LIG 1 2.286 -0.596 0.564 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 1.574 1.577 0.635 0.00 0.00 -0.292 N ATOM 5 C LIG 1 1.803 3.007 0.840 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.388 3.595 0.818 0.00 0.00 +0.028 C ATOM 7 C LIG 1 -0.469 2.486 1.433 0.00 0.00 +0.014 C ATOM 8 C LIG 1 -1.949 2.609 1.071 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -2.619 1.241 0.986 0.00 0.00 +0.108 C ATOM 10 N LIG 1 -1.979 0.383 -0.015 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -0.555 0.614 -0.291 0.00 0.00 +0.130 C ATOM 12 C LIG 1 -2.647 -0.566 -0.795 0.00 0.00 +0.227 C ATOM 13 O LIG 1 -2.089 -1.075 -1.773 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 2.729 3.709 -0.170 0.00 0.00 +0.022 C ATOM 15 C LIG 1 3.129 2.860 -1.375 0.00 0.00 +0.004 C ATOM 16 C LIG 1 0.192 1.196 0.921 0.00 0.00 +0.097 C ATOM 17 C LIG 1 4.148 1.764 -1.047 0.00 0.00 +0.032 C ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 5.453 -0.339 1.698 0.00 0.00 +0.230 C ATOM 19 N LIG 1 4.923 0.003 0.469 0.00 0.00 -0.303 N ATOM 20 H LIG 1 4.808 -0.794 -0.153 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 5.400 0.401 2.678 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 6.056 -1.768 1.735 0.00 0.00 +0.137 C ATOM 23 C LIG 1 7.157 -1.840 2.793 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 6.814 -3.555 0.244 0.00 0.00 +0.101 C ATOM 25 N LIG 1 6.532 -2.134 0.377 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 7.372 -1.594 0.166 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 12 27 ATOM 27 C LIG 1 -4.101 -0.937 -0.407 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -4.386 -2.431 -0.581 0.00 0.00 -0.031 A ATOM 29 C LIG 1 -4.515 -3.258 0.549 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.780 -4.622 0.409 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.919 -5.180 -0.860 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.788 -4.376 -1.989 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.521 -3.012 -1.852 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.156 -0.054 -1.081 0.00 0.00 -0.031 A ATOM 35 C LIG 1 -6.395 0.141 -0.445 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -7.383 0.933 -1.032 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.152 1.536 -2.265 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.937 1.340 -2.917 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.947 0.547 -2.332 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 12 27 TORSDOF 6