REMARK Name = BDB056692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.999 0.708 -0.757 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.653 -0.281 -0.041 0.00 0.00 -0.268 N ATOM 3 C LIG 1 3.013 -0.615 -0.162 0.00 0.00 +0.062 A ATOM 4 C LIG 1 3.343 -1.650 0.691 0.00 0.00 +0.092 A ATOM 5 N LIG 1 4.580 -2.164 0.793 0.00 0.00 -0.152 NA ATOM 6 N LIG 1 5.552 -1.636 0.002 0.00 0.00 -0.154 NA ATOM 7 C LIG 1 5.267 -0.616 -0.856 0.00 0.00 +0.070 A ATOM 8 C LIG 1 2.165 -2.088 1.528 0.00 0.00 +0.027 C ATOM 9 C LIG 1 2.381 -1.710 2.996 0.00 0.00 +0.019 C ATOM 10 C LIG 1 1.900 -3.588 1.387 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.992 -0.070 -0.962 0.00 0.00 +0.050 A ATOM 12 C LIG 1 1.029 -1.246 0.891 0.00 0.00 +0.126 C ATOM 13 O LIG 1 1.544 1.429 -1.597 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.492 0.922 -0.446 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -1.828 0.153 -4.685 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.917 0.563 -3.216 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.334 0.738 -2.860 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -3.733 1.510 -3.392 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.500 0.975 -1.419 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.774 -0.069 -0.518 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -1.324 -0.227 -0.860 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.224 -0.495 -2.318 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.016 0.234 0.987 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 N LIG 1 -4.384 0.017 1.427 0.00 0.00 -0.292 N ATOM 25 C LIG 1 -4.934 -1.234 1.647 0.00 0.00 +0.247 C ATOM 26 O LIG 1 -4.409 -2.322 1.518 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -6.316 -1.010 2.088 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -6.540 0.369 2.130 0.00 0.00 -0.015 A ATOM 29 C LIG 1 -7.774 0.860 2.518 0.00 0.00 +0.044 A ATOM 30 C LIG 1 -8.764 -0.066 2.857 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -8.532 -1.449 2.811 0.00 0.00 +0.039 A ATOM 32 F LIG 1 -9.969 0.380 3.236 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -7.285 -1.939 2.420 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -5.307 1.102 1.721 0.00 0.00 +0.144 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 35 ATOM 35 C LIG 1 6.412 -0.074 -1.673 0.00 0.00 +0.095 C BRANCH 35 36 ATOM 36 C LIG 1 7.004 1.191 -1.102 0.00 0.00 -0.006 A ATOM 37 C LIG 1 6.700 2.436 -1.664 0.00 0.00 +0.130 A ATOM 38 F LIG 1 5.887 2.506 -2.728 0.00 0.00 -0.205 F ATOM 39 C LIG 1 7.220 3.614 -1.142 0.00 0.00 +0.077 A ATOM 40 C LIG 1 8.056 3.546 -0.037 0.00 0.00 +0.126 A ATOM 41 F LIG 1 8.563 4.675 0.476 0.00 0.00 -0.205 F ATOM 42 C LIG 1 8.373 2.325 0.550 0.00 0.00 +0.039 A ATOM 43 C LIG 1 7.847 1.146 0.020 0.00 0.00 +0.009 A ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 6