REMARK Name = BDB049547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.192 0.682 -1.188 0.00 0.00 +0.023 A ATOM 2 C LIG 1 1.782 0.554 0.147 0.00 0.00 +0.015 A ATOM 3 C LIG 1 0.475 0.881 0.534 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.441 1.340 -0.411 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.038 1.472 -1.742 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.266 1.146 -2.130 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.551 -0.308 -1.420 0.00 0.00 +0.248 A ATOM 8 O LIG 1 5.347 0.002 -2.730 0.00 0.00 -0.336 OA ATOM 9 N LIG 1 4.026 0.427 -2.833 0.00 0.00 -0.056 NA ATOM 10 C LIG 1 3.556 0.336 -1.577 0.00 0.00 +0.202 A ATOM 11 N LIG 1 4.489 -0.121 -0.666 0.00 0.00 -0.190 NA BRANCH 7 12 ATOM 12 C LIG 1 6.910 -0.802 -1.048 0.00 0.00 +0.159 C ATOM 13 C LIG 1 7.024 -2.301 -1.312 0.00 0.00 +0.038 C BRANCH 12 16 ATOM 14 C LIG 1 8.430 -0.167 2.377 0.00 0.00 +0.109 C ATOM 15 C LIG 1 8.393 -0.452 0.900 0.00 0.00 +0.211 C ATOM 16 N LIG 1 7.134 -0.502 0.362 0.00 0.00 -0.304 N ATOM 17 H LIG 1 6.316 -0.407 0.953 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 9.413 -0.629 0.243 0.00 0.00 -0.276 OA ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 10 BRANCH 4 19 ATOM 19 O LIG 1 -1.736 1.698 -0.170 0.00 0.00 -0.490 OA BRANCH 19 20 ATOM 20 C LIG 1 -2.249 1.465 1.144 0.00 0.00 +0.248 C BRANCH 20 21 ATOM 21 C LIG 1 -3.740 1.838 1.191 0.00 0.00 +0.152 C BRANCH 21 22 ATOM 22 N LIG 1 -4.602 0.743 0.707 0.00 0.00 -0.291 N ATOM 23 C LIG 1 -4.995 0.690 -0.646 0.00 0.00 +0.077 A ATOM 24 C LIG 1 -5.851 -0.352 -1.055 0.00 0.00 +0.150 A ATOM 25 C LIG 1 -6.296 -0.471 -2.377 0.00 0.00 +0.048 A ATOM 26 C LIG 1 -5.887 0.452 -3.332 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.035 1.486 -2.961 0.00 0.00 +0.002 A ATOM 28 O LIG 1 -6.312 -1.323 -0.191 0.00 0.00 -0.452 OA ATOM 29 C LIG 1 -5.858 -1.289 1.109 0.00 0.00 +0.150 A ATOM 30 C LIG 1 -6.306 -2.333 1.927 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -5.902 -2.397 3.255 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.053 -1.418 3.760 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.609 -0.373 2.938 0.00 0.00 +0.027 A ATOM 34 C LIG 1 -4.596 1.602 -1.634 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -5.004 -0.279 1.593 0.00 0.00 +0.077 A ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 7