REMARK Name = BDB024090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.834 -1.746 -0.144 0.00 0.00 +0.172 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.766 -2.678 1.059 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.536 -2.189 2.356 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.475 -3.061 3.444 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.656 -4.429 3.254 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.907 -4.927 1.977 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.967 -4.058 0.887 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.666 -0.710 -0.123 0.00 0.00 +0.239 C ATOM 9 N LIG 1 0.567 -1.300 -0.380 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.577 -2.312 -0.426 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.856 0.484 0.100 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.822 -0.667 -0.475 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.009 0.713 -0.415 0.00 0.00 +0.024 A ATOM 14 C LIG 1 3.293 1.264 -0.522 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.416 0.445 -0.693 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.224 -0.939 -0.759 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.940 -1.488 -0.650 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 5.751 1.006 -0.808 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.170 2.195 -0.245 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.485 2.339 -0.581 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.361 3.427 -0.218 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.963 1.325 -1.323 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.908 0.516 -1.459 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -3.158 -1.085 -0.178 0.00 0.00 -0.299 NA ATOM 25 H LIG 1 -3.130 -0.365 0.551 0.00 0.00 +0.123 HD BRANCH 24 27 ATOM 26 C LIG 1 -3.823 -1.458 -2.534 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.474 -0.423 -1.458 0.00 0.00 +0.056 C BRANCH 27 28 ATOM 28 C LIG 1 -4.686 0.533 -1.284 0.00 0.00 +0.053 C BRANCH 28 29 ATOM 29 C LIG 1 -4.462 1.667 -0.307 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -3.516 2.667 -0.574 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.306 3.705 0.336 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -4.045 3.751 1.516 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -3.786 5.030 2.638 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -4.991 2.768 1.794 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -5.199 1.729 0.885 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 TORSDOF 8