REMARK Name = BDB011336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.713 -0.935 0.180 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.812 0.079 -0.182 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.429 -0.489 -0.231 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.827 -0.074 -0.529 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.511 -1.416 -0.493 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.615 -2.450 -0.096 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.819 -3.639 0.084 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.330 -1.823 0.030 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.998 -2.124 0.316 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.854 -1.616 -0.821 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.618 -0.553 -1.471 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -5.918 -0.686 -1.780 0.00 0.00 +0.107 A ATOM 13 CL LIG 1 -6.792 0.576 -2.554 0.00 0.00 -0.078 Cl ATOM 14 C LIG 1 -6.628 -1.962 -1.471 0.00 0.00 +0.267 A ATOM 15 O LIG 1 -7.813 -2.155 -1.714 0.00 0.00 -0.266 OA ATOM 16 N LIG 1 -5.842 -2.930 -0.890 0.00 0.00 -0.326 N ATOM 17 H LIG 1 -6.307 -3.805 -0.679 0.00 0.00 +0.168 HD ATOM 18 C LIG 1 -4.514 -2.768 -0.577 0.00 0.00 +0.109 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.403 0.888 0.502 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.481 0.545 1.865 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.018 1.436 2.799 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.488 2.677 2.380 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.147 3.775 3.529 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.425 3.036 1.037 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.885 2.147 0.103 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.811 -0.440 0.791 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.387 -0.410 -0.478 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.063 -0.579 -0.664 0.00 0.00 +0.230 A ATOM 29 C LIG 1 3.152 -0.752 0.368 0.00 0.00 +0.078 A ATOM 30 C LIG 1 3.714 -0.771 1.628 0.00 0.00 +0.131 A ATOM 31 N LIG 1 5.031 -0.612 1.871 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 7.593 -0.349 2.296 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.168 -0.263 0.943 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.563 -0.550 -1.956 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.577 -0.483 -2.954 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.181 1.472 -0.443 0.00 0.00 +0.081 C ATOM 37 C LIG 1 0.935 2.366 0.770 0.00 0.00 +0.030 C ATOM 38 C LIG 1 0.565 2.042 -1.720 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6