REMARK Name = BDB032888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.830 -1.653 0.113 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.567 -1.644 0.342 0.00 0.00 +0.058 A ATOM 3 C LIG 1 1.284 -2.854 0.383 0.00 0.00 +0.015 A ATOM 4 C LIG 1 0.635 -4.065 0.151 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -0.730 -4.075 -0.114 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.458 -2.881 -0.129 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.887 -0.202 -0.094 0.00 0.00 +0.220 C ATOM 8 N LIG 1 -1.545 -0.430 0.148 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -0.993 0.373 0.463 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.707 -1.044 -0.445 0.00 0.00 -0.275 OA BRANCH 7 12 ATOM 11 C LIG 1 -4.787 1.448 0.098 0.00 0.00 +0.017 C ATOM 12 C LIG 1 -3.270 1.268 0.108 0.00 0.00 +0.069 C ATOM 13 C LIG 1 -2.628 2.144 -0.967 0.00 0.00 +0.017 C ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 2 14 ATOM 14 C LIG 1 1.292 -0.348 0.541 0.00 0.00 +0.251 C ATOM 15 N LIG 1 2.571 -0.309 0.031 0.00 0.00 -0.261 N ATOM 16 H LIG 1 2.943 -1.074 -0.511 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 0.690 0.578 1.076 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 3.362 0.803 0.130 0.00 0.00 +0.167 A ATOM 19 S LIG 1 4.874 0.646 -0.649 0.00 0.00 -0.030 S ATOM 20 C LIG 1 5.263 2.231 -0.154 0.00 0.00 +0.166 A ATOM 21 C LIG 1 4.223 2.771 0.568 0.00 0.00 +0.152 A ATOM 22 N LIG 1 3.127 1.941 0.732 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 6.511 2.958 -0.432 0.00 0.00 -0.022 NA ATOM 24 O LIG 1 7.347 2.330 -1.090 0.00 0.00 -0.143 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 2 14 TORSDOF 5