REMARK Name = BDB016796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.619 -1.065 0.448 0.00 0.00 -0.321 N ATOM 2 C LIG 1 0.289 -0.776 0.397 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -0.628 0.381 0.431 0.00 0.00 +0.161 C ATOM 4 N LIG 1 -1.958 -0.334 0.453 0.00 0.00 -0.252 N ATOM 5 C LIG 1 -1.794 -1.752 0.365 0.00 0.00 +0.272 C ATOM 6 O LIG 1 -2.631 -2.639 0.352 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 -0.367 -1.960 0.337 0.00 0.00 +0.150 A ATOM 8 N LIG 1 0.485 -3.005 0.289 0.00 0.00 -0.221 NA ATOM 9 C LIG 1 1.707 -2.463 0.297 0.00 0.00 +0.160 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.179 0.333 0.601 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.264 1.637 0.938 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -4.471 2.304 1.091 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -4.449 3.710 1.459 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.698 1.672 0.915 0.00 0.00 +0.251 A ATOM 15 O LIG 1 -6.795 2.205 1.047 0.00 0.00 -0.268 OA ATOM 16 C LIG 1 -5.624 0.244 0.532 0.00 0.00 +0.072 A ATOM 17 C LIG 1 -4.439 -0.364 0.388 0.00 0.00 +0.030 A ENDBRANCH 4 10 BRANCH 3 18 ATOM 18 C LIG 1 -0.477 1.295 -0.777 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -0.677 0.822 -2.088 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -0.534 1.673 -3.186 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -0.190 3.007 -2.988 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -0.011 4.056 -4.339 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 0.011 3.498 -1.701 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -0.131 2.647 -0.601 0.00 0.00 +0.007 A ENDBRANCH 3 18 BRANCH 9 25 ATOM 25 C LIG 1 2.940 -3.262 0.172 0.00 0.00 +0.106 A ATOM 26 N LIG 1 4.059 -2.617 -0.239 0.00 0.00 -0.252 NA ATOM 27 C LIG 1 5.179 -3.359 -0.391 0.00 0.00 +0.111 A ATOM 28 C LIG 1 5.243 -4.722 -0.152 0.00 0.00 +0.020 A ATOM 29 C LIG 1 4.087 -5.369 0.263 0.00 0.00 +0.004 A ATOM 30 C LIG 1 2.917 -4.632 0.423 0.00 0.00 +0.031 A ENDBRANCH 9 25 BRANCH 1 32 ATOM 31 C LIG 1 2.446 0.888 1.778 0.00 0.00 +0.030 C ATOM 32 C LIG 1 2.728 -0.147 0.684 0.00 0.00 +0.083 C ATOM 33 C LIG 1 3.196 0.524 -0.606 0.00 0.00 +0.030 C ENDBRANCH 1 32 TORSDOF 4