REMARK Name = BDB034363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.322 -0.625 1.720 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -0.316 0.388 1.625 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.522 -1.189 1.255 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.751 -0.473 1.385 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -3.936 -1.098 0.922 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -5.145 -0.422 1.006 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -5.225 0.867 1.536 0.00 0.00 +0.130 A ATOM 8 C LIG 1 -4.087 1.480 2.037 0.00 0.00 +0.047 A ATOM 9 N LIG 1 -3.957 -2.334 0.408 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -2.797 -3.011 0.358 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -2.861 0.820 1.958 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -1.583 -2.497 0.772 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 O LIG 1 -6.413 1.548 1.667 0.00 0.00 -0.456 OA BRANCH 13 14 ATOM 14 C LIG 1 -7.248 1.578 0.573 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -8.604 1.341 0.806 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -9.511 1.392 -0.254 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -9.058 1.695 -1.538 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -10.177 1.758 -2.844 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -7.708 1.954 -1.770 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -6.799 1.904 -0.711 0.00 0.00 +0.048 A ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 0.990 -1.199 1.428 0.00 0.00 +0.103 C BRANCH 21 22 ATOM 22 C LIG 1 1.415 -0.913 -0.013 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 2.803 -1.490 -0.294 0.00 0.00 +0.083 C BRANCH 23 24 ATOM 24 N LIG 1 3.206 -1.149 -1.667 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 2.534 -1.569 -2.314 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 4.539 -1.692 -1.989 0.00 0.00 +0.120 C BRANCH 26 29 ATOM 27 C LIG 1 6.800 1.105 -0.595 0.00 0.00 +0.162 A ATOM 28 C LIG 1 5.697 0.440 -1.155 0.00 0.00 +0.163 A ATOM 29 C LIG 1 5.681 -0.958 -1.322 0.00 0.00 +0.011 A ATOM 30 C LIG 1 6.812 -1.684 -0.921 0.00 0.00 +0.009 A ATOM 31 C LIG 1 7.911 -1.036 -0.357 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.906 0.352 -0.194 0.00 0.00 +0.049 A BRANCH 27 34 ATOM 33 C LIG 1 7.821 3.171 0.021 0.00 0.00 +0.277 C ATOM 34 O LIG 1 6.693 2.466 -0.476 0.00 0.00 -0.491 OA ENDBRANCH 27 34 BRANCH 28 35 ATOM 35 O LIG 1 4.609 1.190 -1.534 0.00 0.00 -0.503 OA ATOM 36 H LIG 1 3.873 0.558 -1.683 0.00 0.00 +0.292 HD ENDBRANCH 28 35 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11