REMARK Name = BDB064158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.813 3.041 1.290 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.149 1.615 1.379 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.604 0.920 0.281 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.643 1.463 -0.831 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -1.219 1.191 2.770 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.609 2.342 3.571 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.957 3.558 2.719 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.717 2.959 -0.615 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -0.079 2.504 -1.063 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.617 3.214 0.737 0.00 0.00 +0.234 C ATOM 11 O LIG 1 1.576 3.539 1.433 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.972 3.001 -1.320 0.00 0.00 +0.139 C BRANCH 12 17 ATOM 13 C LIG 1 3.754 -0.937 -1.561 0.00 0.00 +0.026 A ATOM 14 C LIG 1 2.870 -0.488 -2.546 0.00 0.00 +0.132 A ATOM 15 F LIG 1 2.562 -1.270 -3.592 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.295 0.779 -2.477 0.00 0.00 +0.044 A ATOM 17 C LIG 1 2.598 1.634 -1.409 0.00 0.00 -0.028 A ATOM 18 C LIG 1 3.470 1.182 -0.407 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.050 -0.088 -0.485 0.00 0.00 +0.012 A BRANCH 13 22 ATOM 20 C LIG 1 6.780 -1.665 -2.366 0.00 0.00 +0.067 C ATOM 21 C LIG 1 5.684 -2.593 -1.984 0.00 0.00 +0.053 A ATOM 22 C LIG 1 4.383 -2.250 -1.650 0.00 0.00 +0.044 A ATOM 23 S LIG 1 3.480 -3.667 -1.294 0.00 0.00 -0.075 S ATOM 24 C LIG 1 4.871 -4.613 -1.610 0.00 0.00 +0.156 A ATOM 25 N LIG 1 5.956 -3.954 -1.949 0.00 0.00 -0.252 NA ENDBRANCH 13 22 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 -1.180 2.473 4.860 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -0.867 1.728 5.403 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -2.047 -0.556 0.462 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -1.003 -1.587 -0.068 0.00 0.00 -0.011 C ATOM 30 C LIG 1 -0.755 -1.470 -1.585 0.00 0.00 +0.013 C ATOM 31 C LIG 1 0.342 -1.413 0.663 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -1.513 -3.017 0.222 0.00 0.00 +0.013 C ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 N LIG 1 -3.331 -0.662 -0.231 0.00 0.00 -0.301 N ATOM 34 H LIG 1 -3.343 -0.443 -1.223 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 -4.514 -0.430 0.435 0.00 0.00 +0.251 C ATOM 36 O LIG 1 -4.611 -0.358 1.655 0.00 0.00 -0.272 OA BRANCH 35 37 ATOM 37 C LIG 1 -5.695 -0.252 -0.467 0.00 0.00 +0.187 C ATOM 38 C LIG 1 -7.013 -0.902 -0.129 0.00 0.00 +0.053 C ATOM 39 C LIG 1 -6.868 0.590 -0.034 0.00 0.00 +0.053 C ATOM 40 F LIG 1 -5.410 -0.192 -1.834 0.00 0.00 -0.232 F ENDBRANCH 35 37 ENDBRANCH 28 33 ENDBRANCH 3 28 TORSDOF 9