REMARK Name = BDB018203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.942 -1.159 0.010 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -0.176 -0.369 0.842 0.00 0.00 +0.117 A ATOM 3 N LIG 1 0.957 -1.085 1.117 0.00 0.00 -0.267 N ATOM 4 N LIG 1 0.968 -2.305 0.540 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.183 -2.342 -0.137 0.00 0.00 +0.143 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -5.200 1.214 0.234 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -4.324 0.319 -0.504 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -4.756 -0.201 -1.721 0.00 0.00 +0.251 A ATOM 9 O LIG 1 -5.838 0.035 -2.249 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -3.799 -1.107 -2.404 0.00 0.00 +0.071 A ATOM 11 C LIG 1 -2.614 -1.390 -1.848 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -2.214 -0.828 -0.564 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.089 0.001 0.042 0.00 0.00 +0.097 A ENDBRANCH 1 12 BRANCH 3 14 ATOM 14 C LIG 1 2.070 -0.666 1.957 0.00 0.00 +0.178 C BRANCH 14 15 ATOM 15 C LIG 1 3.018 0.241 1.210 0.00 0.00 -0.025 A ATOM 16 C LIG 1 3.802 -0.261 0.157 0.00 0.00 +0.024 A ATOM 17 C LIG 1 4.679 0.577 -0.542 0.00 0.00 +0.052 A ATOM 18 C LIG 1 4.778 1.926 -0.187 0.00 0.00 +0.019 A ATOM 19 C LIG 1 4.006 2.433 0.858 0.00 0.00 +0.002 A ATOM 20 C LIG 1 3.131 1.597 1.553 0.00 0.00 +0.005 A BRANCH 17 21 ATOM 21 C LIG 1 5.472 0.057 -1.617 0.00 0.00 +0.099 C ATOM 22 N LIG 1 6.120 -0.357 -2.486 0.00 0.00 -0.191 NA ENDBRANCH 17 21 ENDBRANCH 14 15 ENDBRANCH 3 14 TORSDOF 4