REMARK Name = BDB018232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.557 -1.197 0.721 0.00 0.00 -0.264 N ATOM 2 N LIG 1 -1.492 -2.308 -0.049 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.236 -2.308 -0.503 0.00 0.00 +0.143 A ATOM 4 C LIG 1 0.511 -1.212 -0.025 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.365 -0.519 0.777 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 1.877 -0.881 -0.285 0.00 0.00 +0.005 A ATOM 7 C LIG 1 2.280 0.443 -0.717 0.00 0.00 -0.030 A ATOM 8 C LIG 1 1.393 1.612 -1.001 0.00 0.00 +0.036 C ATOM 9 C LIG 1 2.326 2.559 -1.768 0.00 0.00 +0.009 C ATOM 10 C LIG 1 3.756 2.150 -1.406 0.00 0.00 +0.041 C ATOM 11 C LIG 1 3.561 0.752 -0.948 0.00 0.00 +0.021 A ATOM 12 C LIG 1 4.641 -0.239 -0.780 0.00 0.00 +0.255 A ATOM 13 O LIG 1 5.808 0.075 -0.986 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 4.202 -1.507 -0.388 0.00 0.00 -0.317 N ATOM 15 C LIG 1 5.182 -2.564 -0.194 0.00 0.00 +0.152 C ATOM 16 C LIG 1 2.861 -1.795 -0.151 0.00 0.00 +0.097 A ENDBRANCH 4 6 BRANCH 1 18 ATOM 17 C LIG 1 -3.732 -1.991 1.699 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -2.795 -0.814 1.410 0.00 0.00 +0.134 C BRANCH 18 19 ATOM 19 C LIG 1 -3.504 0.302 0.656 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -3.929 0.131 -0.672 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -4.582 1.162 -1.349 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.822 2.375 -0.709 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.410 2.559 0.609 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.756 1.530 1.289 0.00 0.00 +0.006 A ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 3