REMARK Name = BDB030432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.208 -0.832 -1.611 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -1.504 -0.503 -1.987 0.00 0.00 +0.202 A ATOM 3 F LIG 1 -1.838 -0.481 -3.286 0.00 0.00 -0.199 F ATOM 4 C LIG 1 -2.460 -0.183 -1.026 0.00 0.00 +0.184 A ATOM 5 F LIG 1 -3.677 0.185 -1.458 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -2.162 -0.193 0.350 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -0.824 -0.488 0.719 0.00 0.00 +0.064 A ATOM 8 C LIG 1 0.126 -0.852 -0.254 0.00 0.00 +0.064 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -0.400 -0.433 2.150 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -1.211 -0.534 3.063 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.924 -0.213 2.420 0.00 0.00 -0.325 N ATOM 12 H LIG 1 1.145 -0.025 3.389 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 1.556 0.224 1.748 0.00 0.00 +0.145 HD ENDBRANCH 7 9 BRANCH 6 14 ATOM 14 N LIG 1 -3.135 0.108 1.336 0.00 0.00 -0.309 N ATOM 15 H LIG 1 -2.731 0.179 2.281 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 -4.515 -0.180 1.433 0.00 0.00 +0.067 A ATOM 17 C LIG 1 -5.265 0.464 2.434 0.00 0.00 +0.145 A ATOM 18 F LIG 1 -4.648 1.300 3.285 0.00 0.00 -0.204 F ATOM 19 C LIG 1 -6.636 0.265 2.583 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -7.290 -0.597 1.712 0.00 0.00 +0.016 A ATOM 21 I LIG 1 -9.334 -0.913 1.908 0.00 0.00 -0.044 I ATOM 22 C LIG 1 -6.579 -1.251 0.707 0.00 0.00 +0.016 A ATOM 23 C LIG 1 -5.200 -1.040 0.570 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 1 24 ATOM 24 O LIG 1 0.679 -1.154 -2.618 0.00 0.00 -0.450 OA BRANCH 24 28 ATOM 25 C LIG 1 3.695 0.786 -1.861 0.00 0.00 +0.178 A ATOM 26 C LIG 1 2.353 0.530 -2.101 0.00 0.00 +0.206 A ATOM 27 F LIG 1 1.440 1.499 -1.935 0.00 0.00 -0.198 F ATOM 28 C LIG 1 1.986 -0.763 -2.454 0.00 0.00 +0.168 A ATOM 29 C LIG 1 2.973 -1.722 -2.660 0.00 0.00 +0.069 A ATOM 30 C LIG 1 4.291 -1.359 -2.428 0.00 0.00 +0.117 A ATOM 31 N LIG 1 4.672 -0.131 -2.005 0.00 0.00 -0.236 NA BRANCH 25 32 ATOM 32 N LIG 1 4.112 2.026 -1.301 0.00 0.00 -0.187 N ATOM 33 H LIG 1 3.583 2.798 -1.712 0.00 0.00 +0.176 HD BRANCH 32 34 ATOM 34 S LIG 1 3.850 2.139 0.354 0.00 0.00 +0.110 S ATOM 35 O LIG 1 2.931 1.117 0.805 0.00 0.00 -0.138 OA ATOM 36 O LIG 1 3.604 3.537 0.609 0.00 0.00 -0.138 OA BRANCH 34 38 ATOM 37 C LIG 1 5.947 0.493 0.803 0.00 0.00 +0.129 C ATOM 38 N LIG 1 5.366 1.821 0.953 0.00 0.00 -0.180 NA ATOM 39 H LIG 1 6.005 2.602 0.811 0.00 0.00 +0.149 HD ENDBRANCH 34 38 ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 8