REMARK Name = BDB040909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.293 1.499 0.394 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.805 0.612 -0.570 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.026 -0.181 -1.390 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.893 -0.650 -2.399 0.00 0.00 +0.066 A ATOM 5 N LIG 1 -3.139 -0.213 -2.202 0.00 0.00 -0.170 NA ATOM 6 C LIG 1 -1.561 -1.463 -3.595 0.00 0.00 +0.068 C ATOM 7 C LIG 1 0.443 -0.305 -1.237 0.00 0.00 +0.083 C ATOM 8 C LIG 1 0.992 0.998 -0.636 0.00 0.00 +0.172 C ATOM 9 N LIG 1 -3.119 0.328 -0.951 0.00 0.00 -0.218 N ATOM 10 C LIG 1 0.109 1.619 0.481 0.00 0.00 +0.242 C ATOM 11 O LIG 1 0.660 2.293 1.363 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 0.681 -1.582 -0.438 0.00 0.00 -0.037 A ATOM 13 C LIG 1 0.309 -1.733 0.911 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.570 -2.922 1.596 0.00 0.00 +0.038 A ATOM 15 C LIG 1 1.206 -3.968 0.941 0.00 0.00 +0.123 A ATOM 16 F LIG 1 1.456 -5.106 1.602 0.00 0.00 -0.205 F ATOM 17 C LIG 1 1.590 -3.848 -0.386 0.00 0.00 +0.038 A ATOM 18 C LIG 1 1.330 -2.660 -1.073 0.00 0.00 +0.007 A ENDBRANCH 7 12 BRANCH 9 19 ATOM 19 C LIG 1 -4.335 0.381 -0.223 0.00 0.00 +0.067 A ATOM 20 C LIG 1 -5.544 0.555 -0.911 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -6.750 0.585 -0.209 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -6.756 0.411 1.175 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.560 0.191 1.856 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -4.351 0.163 1.158 0.00 0.00 +0.028 A ENDBRANCH 9 19 BRANCH 8 25 ATOM 25 N LIG 1 2.370 0.903 -0.139 0.00 0.00 -0.299 N ATOM 26 H LIG 1 2.539 1.363 0.751 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 3.422 0.636 -0.981 0.00 0.00 +0.245 C ATOM 28 O LIG 1 3.280 0.401 -2.176 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 4.781 0.667 -0.378 0.00 0.00 +0.038 A ATOM 30 C LIG 1 4.994 0.395 0.979 0.00 0.00 +0.034 A ATOM 31 C LIG 1 6.291 0.423 1.504 0.00 0.00 +0.060 A ATOM 32 CL LIG 1 6.480 0.080 3.187 0.00 0.00 -0.082 Cl ATOM 33 C LIG 1 7.380 0.716 0.673 0.00 0.00 +0.059 A ATOM 34 CL LIG 1 9.004 0.769 1.256 0.00 0.00 -0.082 Cl ATOM 35 C LIG 1 7.168 0.972 -0.685 0.00 0.00 +0.022 A ATOM 36 C LIG 1 5.873 0.943 -1.209 0.00 0.00 +0.014 A ENDBRANCH 27 29 ENDBRANCH 8 25 BRANCH 1 38 ATOM 37 C LIG 1 -2.056 2.270 2.659 0.00 0.00 +0.025 C ATOM 38 C LIG 1 -2.075 2.482 1.149 0.00 0.00 +0.112 C ENDBRANCH 1 38 TORSDOF 5