REMARK Name = BDB059018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.722 0.070 1.172 0.00 0.00 +0.141 A ATOM 2 C LIG 1 -3.119 0.205 -0.172 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -2.264 -0.223 -1.193 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.999 -0.764 -0.908 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -0.639 -0.920 0.433 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.484 -0.500 1.467 0.00 0.00 +0.049 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -4.394 0.772 -0.406 0.00 0.00 -0.277 N ATOM 8 H LIG 1 -4.867 1.051 0.449 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -4.997 1.053 -1.619 0.00 0.00 +0.267 C ATOM 10 O LIG 1 -4.516 0.881 -2.733 0.00 0.00 -0.268 OA BRANCH 9 11 ATOM 11 C LIG 1 -6.378 1.616 -1.497 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -6.638 2.730 -2.222 0.00 0.00 -0.215 NA ATOM 13 C LIG 1 -7.882 3.231 -2.118 0.00 0.00 +0.214 A ATOM 14 F LIG 1 -8.166 4.335 -2.823 0.00 0.00 -0.184 F ATOM 15 C LIG 1 -8.879 2.683 -1.326 0.00 0.00 +0.059 A ATOM 16 C LIG 1 -8.589 1.540 -0.590 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -7.314 0.990 -0.674 0.00 0.00 +0.033 A ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.212 0.493 3.467 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.630 0.513 2.107 0.00 0.00 -0.493 OA ENDBRANCH 1 19 BRANCH 4 20 ATOM 20 N LIG 1 -0.198 -1.213 -1.979 0.00 0.00 -0.297 N ATOM 21 H LIG 1 -0.554 -0.909 -2.882 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 1.209 -1.391 -2.051 0.00 0.00 +0.164 A ATOM 23 C LIG 1 1.729 -1.954 -3.202 0.00 0.00 +0.181 A ATOM 24 F LIG 1 0.955 -2.286 -4.244 0.00 0.00 -0.200 F ATOM 25 C LIG 1 3.082 -2.148 -3.237 0.00 0.00 +0.156 A ATOM 26 N LIG 1 3.899 -1.820 -2.218 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 3.342 -1.274 -1.123 0.00 0.00 +0.220 A ATOM 28 N LIG 1 2.015 -1.066 -1.018 0.00 0.00 -0.196 NA BRANCH 27 29 ATOM 29 N LIG 1 4.174 -0.884 -0.071 0.00 0.00 -0.297 N ATOM 30 C LIG 1 3.482 -0.716 1.213 0.00 0.00 +0.126 C ATOM 31 C LIG 1 4.426 -0.137 2.299 0.00 0.00 +0.068 C ATOM 32 C LIG 1 4.557 1.384 2.180 0.00 0.00 +0.025 C ATOM 33 N LIG 1 5.743 -0.809 2.402 0.00 0.00 -0.308 NA ATOM 34 H LIG 1 5.574 -1.726 2.818 0.00 0.00 +0.123 HD ATOM 35 C LIG 1 6.381 -1.051 1.086 0.00 0.00 +0.068 C ATOM 36 C LIG 1 7.143 0.175 0.576 0.00 0.00 +0.025 C ATOM 37 C LIG 1 5.436 -1.630 -0.000 0.00 0.00 +0.126 C ENDBRANCH 27 29 ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 6