REMARK Name = BDB036846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.192 -0.119 -1.685 0.00 0.00 +0.133 C ATOM 2 N LIG 1 1.387 0.076 -0.249 0.00 0.00 -0.289 N ATOM 3 C LIG 1 0.335 0.306 0.643 0.00 0.00 +0.247 C ATOM 4 O LIG 1 0.441 0.165 1.860 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.672 -0.335 0.338 0.00 0.00 +0.163 C ATOM 6 C LIG 1 2.815 -1.867 0.421 0.00 0.00 +0.240 C ATOM 7 O LIG 1 1.910 -2.668 0.200 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 4.073 -2.319 0.753 0.00 0.00 -0.255 N ATOM 9 H LIG 1 4.160 -3.326 0.787 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 5.248 -1.654 0.512 0.00 0.00 +0.219 C ATOM 11 O LIG 1 6.317 -2.255 0.458 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 5.154 -0.156 0.340 0.00 0.00 +0.098 C ATOM 13 C LIG 1 3.884 0.233 -0.402 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 3 14 ATOM 14 C LIG 1 -0.964 0.782 0.122 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -2.124 0.074 0.458 0.00 0.00 +0.017 A ATOM 16 C LIG 1 -3.386 0.500 0.013 0.00 0.00 -0.044 A ATOM 17 C LIG 1 -3.435 1.660 -0.782 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.281 2.383 -1.101 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -1.041 1.949 -0.641 0.00 0.00 +0.013 A BRANCH 16 20 ATOM 20 C LIG 1 -4.638 -0.272 0.350 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -4.974 -0.574 1.793 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -5.795 0.422 1.032 0.00 0.00 +0.009 C ENDBRANCH 16 20 ENDBRANCH 3 14 TORSDOF 3