REMARK Name = BDB010947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.893 1.072 -1.189 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.790 1.461 -0.425 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.525 0.912 -0.679 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.337 -0.026 -1.696 0.00 0.00 +0.090 A ATOM 5 N LIG 1 0.078 -0.581 -1.944 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -0.911 -0.211 -1.198 0.00 0.00 +0.209 A ATOM 7 N LIG 1 -0.859 0.707 -0.176 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.436 -0.424 -2.472 0.00 0.00 +0.081 A ATOM 9 C LIG 1 0.353 1.334 0.125 0.00 0.00 +0.267 A ATOM 10 O LIG 1 0.540 2.236 0.939 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.704 0.130 -2.211 0.00 0.00 +0.019 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.027 1.014 0.595 0.00 0.00 +0.142 A ATOM 13 N LIG 1 -1.870 1.446 1.862 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -2.962 1.722 2.599 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -4.255 1.569 2.137 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.479 1.126 0.827 0.00 0.00 -0.032 A ATOM 17 C LIG 1 -3.317 0.847 0.070 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 C LIG 1 -5.989 0.914 0.224 0.00 0.00 +0.049 C ATOM 19 C LIG 1 -7.018 2.038 0.568 0.00 0.00 +0.174 C ATOM 20 O LIG 1 -6.793 2.671 -0.719 0.00 0.00 -0.378 OA ATOM 21 C LIG 1 -6.217 1.441 -1.229 0.00 0.00 +0.174 C BRANCH 18 22 ATOM 22 C LIG 1 -6.391 -0.539 0.534 0.00 0.00 +0.092 C BRANCH 22 23 ATOM 23 C LIG 1 -7.734 -1.025 0.111 0.00 0.00 +0.134 A ATOM 24 N LIG 1 -8.212 -2.285 0.378 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -7.543 -3.342 1.089 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -9.456 -2.349 -0.166 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -9.739 -1.203 -0.737 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -8.658 -0.374 -0.564 0.00 0.00 -0.135 NA ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 16 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.264 -1.441 -3.570 0.00 0.00 +0.419 C ATOM 30 F LIG 1 3.428 -1.704 -4.237 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.386 -1.051 -4.537 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.833 -2.654 -3.122 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 5.267 1.654 -0.923 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 6.771 -1.591 2.529 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.173 -0.528 1.509 0.00 0.00 +0.000 C ATOM 36 C LIG 1 5.939 0.001 0.746 0.00 0.00 +0.088 C ATOM 37 N LIG 1 6.254 0.632 -0.550 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 7.615 1.165 -0.584 0.00 0.00 +0.085 C ATOM 39 C LIG 1 8.634 0.026 -0.466 0.00 0.00 +0.016 C ATOM 40 C LIG 1 8.220 -1.059 0.531 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7