REMARK Name = BDB043054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.293 0.415 0.518 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.279 -0.193 1.662 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -1.636 -0.049 1.955 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -1.834 -0.761 3.112 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -0.597 -1.318 3.448 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -2.478 0.677 1.165 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.974 1.248 0.100 0.00 0.00 +0.124 A ATOM 8 N LIG 1 0.361 -0.988 2.579 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.520 1.135 -0.274 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.167 -0.943 3.863 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.908 0.275 4.350 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -3.235 -0.633 5.336 0.00 0.00 +0.009 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.663 0.219 0.314 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.009 -0.503 0.956 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.316 0.165 -0.989 0.00 0.00 +0.160 C BRANCH 15 23 ATOM 16 C LIG 1 9.642 -0.399 0.111 0.00 0.00 +0.046 C ATOM 17 C LIG 1 8.269 -0.519 -0.486 0.00 0.00 -0.022 A ATOM 18 C LIG 1 8.072 -1.238 -1.769 0.00 0.00 +0.063 A ATOM 19 C LIG 1 6.831 -1.344 -2.303 0.00 0.00 +0.059 A ATOM 20 C LIG 1 5.705 -0.774 -1.651 0.00 0.00 +0.138 A ATOM 21 N LIG 1 5.934 -0.112 -0.455 0.00 0.00 -0.306 N ATOM 22 C LIG 1 4.721 0.348 -0.018 0.00 0.00 +0.117 A ATOM 23 C LIG 1 3.799 -0.060 -0.964 0.00 0.00 +0.077 A ATOM 24 N LIG 1 4.431 -0.754 -1.977 0.00 0.00 -0.231 NA ATOM 25 C LIG 1 7.191 0.017 0.122 0.00 0.00 +0.096 A BRANCH 18 26 ATOM 26 C LIG 1 9.261 -1.847 -2.471 0.00 0.00 +0.418 C ATOM 27 F LIG 1 9.883 -2.777 -1.702 0.00 0.00 -0.166 F ATOM 28 F LIG 1 10.193 -0.913 -2.793 0.00 0.00 -0.166 F ATOM 29 F LIG 1 8.926 -2.470 -3.631 0.00 0.00 -0.166 F ENDBRANCH 18 26 ENDBRANCH 15 23 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 30 ATOM 30 N LIG 1 -2.788 1.984 -0.731 0.00 0.00 -0.329 N ATOM 31 H LIG 1 -2.412 2.352 -1.595 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.220 2.151 -0.549 0.00 0.00 +0.109 C BRANCH 32 33 ATOM 33 C LIG 1 -5.014 1.193 -1.451 0.00 0.00 +0.037 C ATOM 34 C LIG 1 -6.516 1.529 -1.389 0.00 0.00 +0.133 C ATOM 35 C LIG 1 -7.342 0.502 -2.185 0.00 0.00 +0.112 C ATOM 36 N LIG 1 -7.105 -0.879 -1.761 0.00 0.00 -0.314 NA ATOM 37 H LIG 1 -7.379 -0.986 -0.784 0.00 0.00 +0.122 HD ATOM 38 C LIG 1 -5.686 -1.216 -1.892 0.00 0.00 +0.081 C ATOM 39 C LIG 1 -4.799 -0.282 -1.070 0.00 0.00 +0.023 C BRANCH 34 40 ATOM 40 O LIG 1 -6.727 2.837 -1.920 0.00 0.00 -0.390 OA ATOM 41 H LIG 1 -7.684 3.017 -1.887 0.00 0.00 +0.210 HD ENDBRANCH 34 40 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 7 30 TORSDOF 9