REMARK Name = BDB048261 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.251 -0.688 0.615 0.00 0.00 +0.061 A ATOM 2 C LIG 1 1.869 -0.449 0.482 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.465 0.754 -0.065 0.00 0.00 +0.078 A ATOM 4 C LIG 1 2.424 1.711 -0.420 0.00 0.00 +0.068 A ATOM 5 N LIG 1 1.774 2.850 -0.869 0.00 0.00 -0.306 N ATOM 6 H LIG 1 2.185 3.715 -1.181 0.00 0.00 +0.170 HD ATOM 7 C LIG 1 0.380 2.647 -0.810 0.00 0.00 +0.334 A ATOM 8 O LIG 1 -0.423 3.497 -1.155 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 3.782 1.511 -0.300 0.00 0.00 +0.028 A ATOM 10 N LIG 1 0.202 1.320 -0.327 0.00 0.00 -0.230 N ATOM 11 C LIG 1 4.198 0.284 0.220 0.00 0.00 +0.017 A ENDROOT BRANCH 10 12 ATOM 12 C LIG 1 -1.043 0.754 -0.180 0.00 0.00 +0.218 A ATOM 13 N LIG 1 -1.273 -0.594 -0.026 0.00 0.00 -0.323 N ATOM 14 H LIG 1 -0.584 -1.323 -0.074 0.00 0.00 +0.169 HD ATOM 15 C LIG 1 -2.622 -0.813 0.086 0.00 0.00 +0.068 A ATOM 16 C LIG 1 -3.176 0.453 -0.032 0.00 0.00 +0.091 A ATOM 17 C LIG 1 -4.568 0.601 0.030 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.356 -0.543 0.211 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -4.769 -1.806 0.323 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -3.380 -1.972 0.260 0.00 0.00 +0.028 A ATOM 21 N LIG 1 -2.196 1.393 -0.208 0.00 0.00 -0.212 NA ENDBRANCH 10 12 BRANCH 1 23 ATOM 22 O LIG 1 2.912 -2.893 1.503 0.00 0.00 -0.245 OA ATOM 23 C LIG 1 3.667 -1.992 1.187 0.00 0.00 +0.337 C BRANCH 23 24 ATOM 24 O LIG 1 4.997 -2.101 1.333 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 5.129 -2.993 1.718 0.00 0.00 +0.295 HD ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 3