REMARK Name = BDB034392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.674 -1.225 -0.880 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -2.618 -2.132 -0.823 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -1.397 -1.795 -0.256 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -1.214 -0.495 0.278 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.045 -0.185 0.874 0.00 0.00 +0.038 A ATOM 6 C LIG 1 1.043 -1.159 0.821 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.757 -2.394 0.270 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -2.285 0.427 0.174 0.00 0.00 +0.015 A ATOM 9 N LIG 1 -0.436 -2.728 -0.251 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -3.503 0.069 -0.403 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 0.274 1.099 1.398 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.548 1.440 1.892 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 1.513 1.468 2.081 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 2.575 1.908 1.075 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 3.830 2.494 1.729 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 4.571 1.636 2.657 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 3.999 1.421 3.471 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 5.057 0.377 2.078 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 6.040 0.549 0.941 0.00 0.00 +0.011 A ATOM 20 C LIG 1 5.831 -0.047 -0.320 0.00 0.00 +0.125 A ATOM 21 C LIG 1 6.781 0.130 -1.336 0.00 0.00 +0.049 A ATOM 22 C LIG 1 7.928 0.894 -1.107 0.00 0.00 +0.042 A ATOM 23 C LIG 1 8.129 1.476 0.136 0.00 0.00 +0.124 A ATOM 24 F LIG 1 9.231 2.205 0.353 0.00 0.00 -0.205 F ATOM 25 C LIG 1 7.204 1.308 1.156 0.00 0.00 +0.046 A BRANCH 20 26 ATOM 26 O LIG 1 4.690 -0.794 -0.458 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 4.314 -1.172 -1.777 0.00 0.00 +0.277 C ENDBRANCH 20 26 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 O LIG 1 -4.830 -1.649 -1.493 0.00 0.00 -0.456 OA BRANCH 28 31 ATOM 29 C LIG 1 -8.264 -0.473 -1.107 0.00 0.00 +0.124 A ATOM 30 C LIG 1 -7.026 -0.783 -1.669 0.00 0.00 +0.091 A ATOM 31 C LIG 1 -6.020 -1.338 -0.872 0.00 0.00 +0.132 A ATOM 32 C LIG 1 -6.255 -1.625 0.474 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -7.491 -1.317 1.036 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -8.488 -0.739 0.248 0.00 0.00 +0.046 A BRANCH 29 36 ATOM 35 C LIG 1 -9.161 0.349 -3.149 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -9.329 0.084 -1.762 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 11