REMARK Name = BDB049353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.480 -3.811 0.303 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -3.449 -3.279 -0.995 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -2.725 -2.100 -1.226 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -2.555 -1.403 -2.392 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -1.795 -0.367 -2.093 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -1.473 -0.374 -0.750 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -2.057 -1.483 -0.176 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.070 -1.992 1.129 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.793 -3.173 1.344 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.419 -6.734 1.394 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -3.789 -6.292 1.048 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.218 -5.026 0.570 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.578 -5.171 0.410 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -6.672 -4.286 -0.034 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -5.937 -6.434 0.766 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -4.819 -7.139 1.171 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -0.649 0.589 -0.039 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 -1.465 1.770 0.500 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 -0.708 2.661 1.409 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 0.485 3.256 0.777 0.00 0.00 +0.112 C ATOM 21 C LIG 1 0.165 4.242 -0.363 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -1.028 5.010 -0.145 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -1.332 5.136 1.245 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -1.590 3.758 1.888 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 -1.374 0.674 -3.084 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 -0.192 0.219 -3.950 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 1.131 0.336 -3.231 0.00 0.00 -0.047 A ATOM 28 C LIG 1 1.797 1.567 -3.172 0.00 0.00 +0.004 A ATOM 29 C LIG 1 2.972 1.701 -2.432 0.00 0.00 +0.004 A ATOM 30 C LIG 1 3.503 0.605 -1.740 0.00 0.00 -0.047 A ATOM 31 C LIG 1 2.849 -0.631 -1.817 0.00 0.00 +0.004 A ATOM 32 C LIG 1 1.675 -0.766 -2.560 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 4.733 0.768 -0.882 0.00 0.00 +0.036 C BRANCH 33 34 ATOM 34 C LIG 1 4.358 1.215 0.534 0.00 0.00 +0.020 C BRANCH 34 35 ATOM 35 C LIG 1 5.609 1.383 1.406 0.00 0.00 +0.084 C BRANCH 35 36 ATOM 36 N LIG 1 5.388 1.802 2.796 0.00 0.00 -0.308 NA ATOM 37 C LIG 1 4.652 0.814 3.579 0.00 0.00 +0.104 C ATOM 38 C LIG 1 4.774 3.122 2.907 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11