REMARK Name = BDB040354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.758 -0.053 0.957 0.00 0.00 -0.030 A ATOM 2 C LIG 1 0.717 -0.882 0.502 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.446 -0.347 -0.040 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -0.621 0.986 -0.156 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 0.361 1.813 0.242 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.541 1.324 0.800 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.497 -1.162 -0.498 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.540 -2.548 -0.553 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.711 -3.384 -0.247 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.856 -2.901 -1.103 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.383 -4.155 -1.349 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.669 -4.219 -1.885 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.389 -3.041 -2.163 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.840 -1.769 -1.907 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -3.556 -1.727 -1.371 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -2.716 -0.547 -0.996 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.600 -0.504 -2.205 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -4.984 0.255 -3.152 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -5.722 0.295 -1.109 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -6.865 -0.718 -2.657 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 3.128 -0.673 1.581 0.00 0.00 +0.049 C ATOM 22 C LIG 1 2.928 -1.771 2.674 0.00 0.00 +0.174 C ATOM 23 O LIG 1 3.190 -0.818 3.731 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 3.772 0.102 2.773 0.00 0.00 +0.174 C BRANCH 21 25 ATOM 25 C LIG 1 4.053 -1.010 0.398 0.00 0.00 +0.092 C BRANCH 25 28 ATOM 26 C LIG 1 4.656 -4.042 -0.011 0.00 0.00 +0.151 C ATOM 27 N LIG 1 5.553 -3.059 0.533 0.00 0.00 -0.320 N ATOM 28 C LIG 1 5.319 -1.721 0.726 0.00 0.00 +0.134 A ATOM 29 N LIG 1 6.413 -1.173 1.213 0.00 0.00 -0.135 NA ATOM 30 N LIG 1 7.358 -2.158 1.365 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 6.828 -3.285 0.953 0.00 0.00 +0.224 A ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 BRANCH 5 32 ATOM 32 N LIG 1 0.207 3.207 0.151 0.00 0.00 -0.324 N ATOM 33 H LIG 1 1.030 3.588 -0.317 0.00 0.00 +0.148 HD BRANCH 32 34 ATOM 34 C LIG 1 -1.004 3.673 -0.531 0.00 0.00 +0.100 C ATOM 35 C LIG 1 -0.910 5.191 -0.776 0.00 0.00 +0.135 C ATOM 36 C LIG 1 -2.363 5.590 -0.967 0.00 0.00 +0.033 C ATOM 37 C LIG 1 -3.082 4.812 0.123 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -2.267 3.531 0.331 0.00 0.00 +0.025 C BRANCH 35 39 ATOM 39 O LIG 1 -0.125 5.491 -1.921 0.00 0.00 -0.390 OA ATOM 40 H LIG 1 -0.173 6.453 -2.058 0.00 0.00 +0.210 HD ENDBRANCH 35 39 ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 8