REMARK Name = BDB034897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.417 -4.066 0.864 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -2.048 -2.700 0.411 0.00 0.00 +0.006 A ATOM 3 S LIG 1 -0.421 -2.308 -0.099 0.00 0.00 -0.057 S ATOM 4 C LIG 1 -0.884 -0.595 -0.432 0.00 0.00 +0.170 A ATOM 5 N LIG 1 -0.072 0.321 -0.859 0.00 0.00 -0.152 NA ATOM 6 N LIG 1 -2.242 -0.457 -0.123 0.00 0.00 -0.295 N ATOM 7 C LIG 1 -2.842 -1.623 0.336 0.00 0.00 +0.104 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -2.932 0.784 -0.215 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -4.126 0.952 -0.947 0.00 0.00 +0.065 A ATOM 10 CL LIG 1 -4.823 -0.321 -1.891 0.00 0.00 -0.081 Cl ATOM 11 C LIG 1 -4.776 2.193 -0.984 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -4.248 3.286 -0.299 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.066 3.144 0.421 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -2.416 1.908 0.460 0.00 0.00 +0.028 A ENDBRANCH 6 8 BRANCH 5 15 ATOM 15 C LIG 1 1.212 -0.047 -1.168 0.00 0.00 +0.270 C ATOM 16 O LIG 1 1.505 -0.713 -2.151 0.00 0.00 -0.268 OA BRANCH 15 17 ATOM 17 C LIG 1 2.269 0.467 -0.256 0.00 0.00 +0.049 A ATOM 18 C LIG 1 3.503 -0.154 -0.146 0.00 0.00 +0.008 A ATOM 19 C LIG 1 4.086 -1.336 -0.766 0.00 0.00 +0.006 C ATOM 20 C LIG 1 5.327 -1.498 -0.278 0.00 0.00 -0.020 C ATOM 21 C LIG 1 5.695 -0.433 0.725 0.00 0.00 +0.083 C ATOM 22 C LIG 1 4.433 0.391 0.741 0.00 0.00 +0.053 A ATOM 23 N LIG 1 4.242 1.481 1.509 0.00 0.00 -0.259 NA ATOM 24 C LIG 1 3.034 2.069 1.374 0.00 0.00 +0.112 A ATOM 25 C LIG 1 2.032 1.609 0.524 0.00 0.00 +0.033 A ENDBRANCH 15 17 ENDBRANCH 5 15 TORSDOF 3