REMARK Name = BDB018264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.902 -0.568 -1.071 0.00 0.00 +0.024 A ATOM 2 C LIG 1 0.282 -1.227 -0.817 0.00 0.00 +0.117 A ATOM 3 N LIG 1 1.112 -0.943 -1.868 0.00 0.00 -0.267 N ATOM 4 N LIG 1 0.528 -0.180 -2.816 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.689 0.062 -2.317 0.00 0.00 +0.143 A ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -2.889 0.651 -0.035 0.00 0.00 +0.135 A ATOM 7 C LIG 1 -2.076 -0.561 -0.238 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.477 -1.689 0.383 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -3.606 -1.751 1.181 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -3.955 -3.024 1.792 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.420 -0.649 1.392 0.00 0.00 +0.255 A ATOM 12 O LIG 1 -5.442 -0.644 2.073 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -3.993 0.607 0.730 0.00 0.00 +0.116 A BRANCH 6 14 ATOM 14 O LIG 1 -2.398 1.774 -0.666 0.00 0.00 -0.491 OA BRANCH 14 16 ATOM 15 C LIG 1 -4.176 3.169 -1.547 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -3.056 3.032 -0.531 0.00 0.00 +0.226 C ENDBRANCH 14 16 ENDBRANCH 6 14 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 C LIG 1 2.474 -1.425 -2.058 0.00 0.00 +0.178 C BRANCH 17 18 ATOM 18 C LIG 1 3.440 -0.785 -1.091 0.00 0.00 -0.026 A ATOM 19 C LIG 1 3.699 0.592 -1.151 0.00 0.00 +0.006 A ATOM 20 C LIG 1 4.596 1.185 -0.259 0.00 0.00 +0.004 A ATOM 21 C LIG 1 5.261 0.412 0.698 0.00 0.00 -0.050 A ATOM 22 C LIG 1 6.197 1.056 1.677 0.00 0.00 +0.044 C ATOM 23 C LIG 1 4.996 -0.960 0.766 0.00 0.00 +0.004 A ATOM 24 C LIG 1 4.099 -1.556 -0.124 0.00 0.00 +0.006 A ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 5