REMARK Name = BDB051732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.106 2.101 0.551 0.00 0.00 +0.173 C ATOM 2 N LIG 1 -3.316 1.321 0.445 0.00 0.00 -0.264 N ATOM 3 C LIG 1 -3.431 -0.006 0.158 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -2.416 -1.002 -0.123 0.00 0.00 +0.097 A ATOM 5 C LIG 1 -2.851 -2.246 -0.556 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -4.307 -2.529 -0.840 0.00 0.00 +0.043 C ATOM 7 C LIG 1 -5.305 -1.666 -0.025 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -1.843 -3.145 -0.794 0.00 0.00 +0.120 A ATOM 9 N LIG 1 -0.540 -2.860 -0.601 0.00 0.00 -0.223 NA ATOM 10 C LIG 1 -0.233 -1.630 -0.165 0.00 0.00 +0.216 A ATOM 11 N LIG 1 -1.132 -0.667 0.073 0.00 0.00 -0.213 NA ATOM 12 C LIG 1 -4.783 -0.286 0.188 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -5.423 0.940 0.492 0.00 0.00 +0.151 A ATOM 14 N LIG 1 -4.512 1.929 0.635 0.00 0.00 -0.166 NA ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 -6.862 1.188 0.658 0.00 0.00 +0.262 C ATOM 16 O LIG 1 -7.728 0.324 0.559 0.00 0.00 -0.269 OA ATOM 17 N LIG 1 -7.175 2.487 0.944 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -8.131 2.747 1.123 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -6.415 3.149 1.058 0.00 0.00 +0.145 HD ENDBRANCH 13 15 BRANCH 10 20 ATOM 20 N LIG 1 1.118 -1.389 0.029 0.00 0.00 -0.309 N ATOM 21 H LIG 1 1.609 -2.135 -0.454 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 1.536 -0.053 -0.334 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C LIG 1 3.045 0.034 -0.259 0.00 0.00 -0.030 A ATOM 24 C LIG 1 3.696 -0.066 0.982 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.088 0.001 1.063 0.00 0.00 +0.027 A ATOM 26 C LIG 1 5.833 0.180 -0.104 0.00 0.00 +0.088 A ATOM 27 C LIG 1 5.206 0.263 -1.349 0.00 0.00 +0.027 A ATOM 28 C LIG 1 3.813 0.193 -1.423 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 S LIG 1 7.606 0.254 -0.006 0.00 0.00 -0.006 S ATOM 30 O LIG 1 8.012 -0.496 1.167 0.00 0.00 -0.170 OA ATOM 31 O LIG 1 8.133 -0.072 -1.318 0.00 0.00 -0.170 OA ATOM 32 C LIG 1 7.922 1.972 0.300 0.00 0.00 +0.200 C ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 10 20 TORSDOF 5