REMARK Name = BDB027236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.302 1.257 0.572 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.154 0.566 0.984 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.214 0.709 2.323 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.443 1.462 3.236 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.552 2.122 2.830 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.999 2.042 1.510 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.233 2.924 3.869 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.625 3.131 3.862 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.237 3.893 4.857 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.565 4.071 4.817 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -3.488 4.461 5.877 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -4.083 5.193 6.828 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -2.115 4.270 5.920 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -1.496 3.505 4.924 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.571 -0.211 0.063 0.00 0.00 -0.327 N ATOM 16 C LIG 1 1.894 0.382 -0.260 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.693 -0.552 -1.223 0.00 0.00 +0.041 C ATOM 18 C LIG 1 2.956 -1.893 -0.488 0.00 0.00 +0.025 C ATOM 19 C LIG 1 1.956 -2.200 0.634 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.559 -1.662 0.360 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 1.869 -0.834 -2.426 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 0.880 -0.862 -2.143 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 1.913 -0.046 -3.074 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 4.016 0.161 -1.602 0.00 0.00 +0.119 C BRANCH 24 25 ATOM 25 C LIG 1 4.853 -0.562 -2.596 0.00 0.00 +0.197 A ATOM 26 O LIG 1 5.605 -1.608 -2.133 0.00 0.00 -0.448 OA ATOM 27 C LIG 1 6.268 -2.049 -3.237 0.00 0.00 +0.217 A ATOM 28 C LIG 1 5.913 -1.250 -4.293 0.00 0.00 +0.152 A ATOM 29 N LIG 1 5.026 -0.292 -3.876 0.00 0.00 -0.222 NA ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -1.812 1.163 -0.847 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -2.990 -3.027 -2.974 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.078 -1.993 -2.027 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -3.910 -1.792 -0.944 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -3.520 -0.644 -0.431 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -2.463 -0.106 -1.119 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.172 -0.953 -2.154 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -1.215 -0.821 -3.087 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -1.211 -1.878 -3.925 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.025 -2.957 -3.919 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -3.831 -4.132 -2.976 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -4.278 -4.298 -2.081 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -3.418 -4.922 -3.453 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 8