REMARK Name = BDB055706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.020 0.262 -0.413 0.00 0.00 -0.300 N ENDROOT BRANCH 1 6 ATOM 2 CL LIG 1 -4.461 -3.204 3.774 0.00 0.00 -0.084 Cl ATOM 3 C LIG 1 -3.747 -2.197 2.576 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -4.295 -2.142 1.300 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -3.709 -1.321 0.332 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -2.567 -0.545 0.614 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.040 -0.620 1.912 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.623 -1.439 2.887 0.00 0.00 +0.022 A ENDBRANCH 1 6 BRANCH 1 9 ATOM 9 C LIG 1 -2.789 1.200 -1.163 0.00 0.00 +0.034 A ATOM 10 C LIG 1 -2.458 1.525 -2.489 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -3.220 2.437 -3.227 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -4.334 3.041 -2.654 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -4.689 2.730 -1.345 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -3.925 1.817 -0.611 0.00 0.00 +0.023 A ENDBRANCH 1 9 BRANCH 1 15 ATOM 15 C LIG 1 -0.573 0.585 -0.358 0.00 0.00 +0.116 C BRANCH 15 16 ATOM 16 C LIG 1 0.311 -0.669 -0.465 0.00 0.00 +0.025 C ATOM 17 C LIG 1 1.808 -0.332 -0.337 0.00 0.00 +0.013 C ATOM 18 C LIG 1 2.458 -1.410 -1.194 0.00 0.00 +0.085 C ATOM 19 N LIG 1 1.561 -1.467 -2.345 0.00 0.00 -0.315 NA ATOM 20 H LIG 1 1.696 -2.328 -2.873 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 0.198 -1.389 -1.813 0.00 0.00 +0.086 C BRANCH 17 22 ATOM 22 C LIG 1 2.291 -0.329 1.118 0.00 0.00 +0.040 C BRANCH 22 23 ATOM 23 C LIG 1 3.744 0.052 1.259 0.00 0.00 -0.047 A ATOM 24 C LIG 1 4.150 1.382 1.082 0.00 0.00 +0.003 A ATOM 25 C LIG 1 5.496 1.732 1.202 0.00 0.00 +0.000 A ATOM 26 C LIG 1 6.447 0.759 1.501 0.00 0.00 +0.000 A ATOM 27 C LIG 1 6.054 -0.566 1.679 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.708 -0.919 1.559 0.00 0.00 +0.003 A ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 6