REMARK Name = BDB010965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.571 1.347 1.059 0.00 0.00 -0.239 N ATOM 2 N LIG 1 -0.180 0.768 -0.109 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 1.073 1.189 -0.327 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.476 2.068 0.733 0.00 0.00 +0.032 A ATOM 5 C LIG 1 2.704 2.719 0.875 0.00 0.00 +0.066 A ATOM 6 C LIG 1 3.555 2.394 -0.218 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.211 1.514 -1.305 0.00 0.00 -0.031 A ATOM 8 C LIG 1 1.942 0.887 -1.388 0.00 0.00 +0.035 A ATOM 9 C LIG 1 0.414 2.151 1.593 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.046 -0.059 1.333 0.00 0.00 -0.031 A ATOM 11 C LIG 1 -2.736 0.224 0.890 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -1.874 1.098 1.581 0.00 0.00 +0.067 A ATOM 13 C LIG 1 -2.316 1.708 2.758 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.607 1.451 3.228 0.00 0.00 +0.054 A ATOM 15 C LIG 1 -4.451 0.585 2.522 0.00 0.00 +0.023 A BRANCH 10 19 ATOM 16 C LIG 1 -5.075 -4.564 0.286 0.00 0.00 +0.007 C ATOM 17 C LIG 1 -5.513 -3.125 0.107 0.00 0.00 -0.012 C ATOM 18 C LIG 1 -4.442 -2.136 -0.411 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.039 -1.045 0.547 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -5.584 -2.262 1.387 0.00 0.00 +0.022 C BRANCH 19 21 ATOM 21 C LIG 1 -6.203 -0.196 -0.125 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.125 0.647 -1.201 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.975 0.976 -1.997 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.379 1.148 -1.376 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.181 0.655 -0.461 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.439 -0.184 0.333 0.00 0.00 -0.134 NA ENDBRANCH 19 21 ENDBRANCH 10 19 BRANCH 14 27 ATOM 27 C LIG 1 -4.067 2.077 4.435 0.00 0.00 +0.099 C ATOM 28 N LIG 1 -4.417 2.591 5.414 0.00 0.00 -0.191 NA ENDBRANCH 14 27 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 3.114 3.644 1.976 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.391 4.798 1.984 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.955 3.095 3.212 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.421 4.024 1.905 0.00 0.00 -0.166 F ENDBRANCH 5 29 BRANCH 7 33 ATOM 33 C LIG 1 4.234 1.252 -2.401 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.150 0.124 -2.194 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.061 0.299 -1.058 0.00 0.00 +0.088 C ATOM 36 C LIG 1 7.146 -0.792 -1.053 0.00 0.00 +0.000 C ATOM 37 C LIG 1 8.075 -0.625 0.149 0.00 0.00 +0.009 C ATOM 38 C LIG 1 6.511 -2.187 -1.057 0.00 0.00 +0.006 C ATOM 39 C LIG 1 5.508 -2.314 -2.199 0.00 0.00 +0.016 C ATOM 40 C LIG 1 4.482 -1.180 -2.166 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 7