REMARK Name = BDB034228 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.193 0.035 -1.145 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.981 0.261 -0.480 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.094 -0.365 -1.060 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.336 -0.197 -0.472 0.00 0.00 -0.015 A ATOM 5 C LIG 1 4.663 -0.743 -0.873 0.00 0.00 +0.145 C ATOM 6 N LIG 1 5.565 -0.205 0.139 0.00 0.00 -0.279 N ATOM 7 C LIG 1 4.880 0.585 1.060 0.00 0.00 +0.248 C ATOM 8 O LIG 1 5.312 1.185 2.025 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.468 0.585 0.666 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.396 1.225 1.257 0.00 0.00 +0.017 A ATOM 11 C LIG 1 1.137 1.059 0.668 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 7.026 -0.483 0.145 0.00 0.00 +0.116 C ATOM 13 C LIG 1 7.591 -1.451 -1.053 0.00 0.00 +0.243 C ATOM 14 O LIG 1 6.966 -1.990 -1.965 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.959 -1.647 -0.964 0.00 0.00 -0.254 N ATOM 16 H LIG 1 9.406 -2.231 -1.656 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.746 -1.093 0.025 0.00 0.00 +0.223 C ATOM 18 O LIG 1 10.955 -1.306 0.058 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.914 -0.213 1.030 0.00 0.00 +0.080 C ATOM 20 C LIG 1 7.939 0.790 0.327 0.00 0.00 +0.048 C ATOM 21 C LIG 1 7.611 -0.912 1.546 0.00 0.00 +0.048 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 23 ATOM 22 C LIG 1 -2.513 -0.613 -1.024 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -1.438 0.393 -0.515 0.00 0.00 +0.190 C ATOM 24 C LIG 1 -1.802 1.851 -0.859 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -2.682 2.002 -2.103 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -2.427 0.909 -3.128 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -2.627 -0.502 -2.566 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 -5.192 -1.402 0.868 0.00 0.00 +0.050 C ATOM 29 C LIG 1 -3.798 -0.751 1.060 0.00 0.00 +0.094 C ATOM 30 N LIG 1 -3.823 -0.370 -0.377 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -4.770 -1.491 -0.621 0.00 0.00 +0.094 C BRANCH 28 36 ATOM 32 C LIG 1 -8.821 0.890 2.037 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -8.532 -0.335 2.632 0.00 0.00 +0.057 A ATOM 34 C LIG 1 -7.388 -1.034 2.247 0.00 0.00 +0.128 A ATOM 35 F LIG 1 -7.139 -2.210 2.844 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -6.491 -0.563 1.271 0.00 0.00 -0.007 A ATOM 37 C LIG 1 -6.815 0.682 0.694 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -7.959 1.400 1.065 0.00 0.00 +0.019 A BRANCH 32 40 ATOM 39 N LIG 1 -10.940 2.213 2.732 0.00 0.00 -0.191 NA ATOM 40 C LIG 1 -9.992 1.621 2.421 0.00 0.00 +0.099 C ENDBRANCH 32 40 ENDBRANCH 28 36 ENDBRANCH 22 30 ENDBRANCH 1 23 TORSDOF 6