REMARK Name = BDB034196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.465 1.160 1.117 0.00 0.00 -0.282 N ATOM 2 C LIG 1 2.757 2.241 0.611 0.00 0.00 +0.248 C ATOM 3 O LIG 1 2.978 3.425 0.781 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.654 1.691 -0.183 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.772 0.304 -0.185 0.00 0.00 -0.015 A ATOM 6 C LIG 1 0.838 -0.471 -0.847 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.230 0.170 -1.488 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -0.315 1.575 -1.506 0.00 0.00 +0.046 A ATOM 9 C LIG 1 0.636 2.354 -0.839 0.00 0.00 +0.017 A ATOM 10 C LIG 1 2.976 -0.109 0.590 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.525 0.125 2.952 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.421 0.557 2.633 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.172 0.985 1.354 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.930 0.833 0.702 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.930 1.111 0.773 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.809 1.050 -0.448 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 4.765 1.318 1.756 0.00 0.00 +0.163 C ATOM 18 C LIG 1 4.946 0.379 2.945 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.280 0.666 3.617 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 O LIG 1 -1.115 -0.672 -2.103 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -2.487 -0.245 -2.177 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -3.412 -1.443 -1.814 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -3.087 -2.646 -2.735 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -2.743 -2.246 -4.173 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -3.295 -0.877 -4.542 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -2.770 0.227 -3.618 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.305 -1.871 -0.396 0.00 0.00 -0.289 NA ATOM 28 C LIG 1 -3.934 -0.878 0.536 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -4.556 -2.086 1.283 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -4.401 -2.822 -0.054 0.00 0.00 +0.087 C BRANCH 28 31 ATOM 31 C LIG 1 -2.854 -0.005 1.304 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -1.693 -0.555 1.887 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -0.757 0.226 2.573 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -0.952 1.597 2.693 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.083 2.180 2.134 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.016 1.389 1.456 0.00 0.00 +0.005 A ENDBRANCH 28 31 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5