REMARK Name = BDB030482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.240 -1.184 -0.348 0.00 0.00 +0.159 A ATOM 2 C LIG 1 0.933 -1.497 0.340 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.837 -2.032 1.569 0.00 0.00 -0.198 F ATOM 4 C LIG 1 2.157 -1.275 -0.287 0.00 0.00 +0.163 A ATOM 5 N LIG 1 2.177 -0.756 -1.534 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 1.004 -0.471 -2.115 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -0.208 -0.657 -1.582 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.480 -1.367 0.306 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.459 -2.272 0.776 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.683 -1.185 -0.510 0.00 0.00 +0.112 C BRANCH 10 16 ATOM 11 N LIG 1 -5.797 1.085 0.477 0.00 0.00 -0.288 NA ATOM 12 C LIG 1 -5.618 0.236 -0.733 0.00 0.00 +0.160 C ATOM 13 C LIG 1 -4.309 0.456 -1.512 0.00 0.00 +0.266 C ATOM 14 F LIG 1 -4.253 -0.383 -2.575 0.00 0.00 -0.204 F ATOM 15 F LIG 1 -4.319 1.716 -2.035 0.00 0.00 -0.204 F ATOM 16 C LIG 1 -3.077 0.296 -0.623 0.00 0.00 +0.078 C ATOM 17 C LIG 1 -3.310 0.921 0.774 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -4.563 1.794 0.848 0.00 0.00 +0.085 C BRANCH 11 19 ATOM 19 C LIG 1 -6.342 0.302 1.613 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 N LIG 1 -8.580 0.829 0.790 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -9.494 0.544 0.467 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -8.119 1.601 0.319 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 -7.779 -0.142 1.326 0.00 0.00 +0.225 C ATOM 24 O LIG 1 -8.207 -1.261 1.582 0.00 0.00 -0.275 OA ENDBRANCH 19 23 ENDBRANCH 11 19 ENDBRANCH 10 16 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 3.400 -1.542 0.341 0.00 0.00 -0.304 N BRANCH 25 26 ATOM 26 C LIG 1 3.494 -2.292 1.603 0.00 0.00 +0.075 C ATOM 27 C LIG 1 4.639 -2.079 2.562 0.00 0.00 +0.024 C ATOM 28 C LIG 1 3.266 -1.610 2.927 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 4.556 -1.627 -0.574 0.00 0.00 +0.162 C BRANCH 29 30 ATOM 30 C LIG 1 5.173 -0.284 -0.938 0.00 0.00 +0.059 A ATOM 31 N LIG 1 5.903 -0.243 -2.086 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 6.489 0.929 -2.424 0.00 0.00 +0.123 A ATOM 33 C LIG 1 6.414 2.083 -1.660 0.00 0.00 +0.073 A ATOM 34 C LIG 1 5.677 2.023 -0.476 0.00 0.00 +0.016 A ATOM 35 C LIG 1 5.059 0.830 -0.106 0.00 0.00 +0.025 A BRANCH 33 36 ATOM 36 C LIG 1 7.074 3.340 -2.131 0.00 0.00 +0.419 C ATOM 37 F LIG 1 6.289 4.051 -2.985 0.00 0.00 -0.166 F ATOM 38 F LIG 1 7.390 4.193 -1.117 0.00 0.00 -0.166 F ATOM 39 F LIG 1 8.241 3.113 -2.798 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 10