REMARK Name = BDB011419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.032 0.131 0.263 0.00 0.00 -0.336 N ATOM 2 C LIG 1 0.189 0.661 -0.045 0.00 0.00 +0.057 A ATOM 3 C LIG 1 1.606 0.503 0.383 0.00 0.00 +0.159 C ATOM 4 N LIG 1 2.242 1.621 -0.401 0.00 0.00 -0.253 N ATOM 5 C LIG 1 1.302 2.259 -1.260 0.00 0.00 +0.254 C ATOM 6 O LIG 1 1.459 3.164 -2.063 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.038 1.639 -0.982 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -1.306 1.711 -1.336 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -1.976 0.773 -0.553 0.00 0.00 +0.057 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 3.587 1.987 -0.283 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.204 2.829 -1.138 0.00 0.00 +0.112 A ATOM 12 N LIG 1 5.545 3.171 -1.030 0.00 0.00 -0.315 N ATOM 13 C LIG 1 6.106 4.072 -2.028 0.00 0.00 +0.152 C ATOM 14 C LIG 1 6.376 2.659 -0.033 0.00 0.00 +0.270 A ATOM 15 O LIG 1 7.572 2.920 0.064 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 5.695 1.754 0.943 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 6.615 1.119 2.254 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 4.394 1.462 0.809 0.00 0.00 +0.050 A ENDBRANCH 4 10 BRANCH 3 19 ATOM 19 C LIG 1 2.192 -0.856 0.019 0.00 0.00 -0.021 A ATOM 20 C LIG 1 2.237 -1.306 -1.314 0.00 0.00 +0.007 A ATOM 21 C LIG 1 2.772 -2.557 -1.630 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.271 -3.373 -0.618 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 3.918 -4.918 -1.005 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 3.243 -2.946 0.707 0.00 0.00 +0.020 A ATOM 25 C LIG 1 2.708 -1.695 1.024 0.00 0.00 +0.007 A ENDBRANCH 3 19 BRANCH 9 26 ATOM 26 C LIG 1 -3.413 0.498 -0.553 0.00 0.00 +0.078 A ATOM 27 C LIG 1 -4.286 0.872 0.458 0.00 0.00 +0.230 A ATOM 28 N LIG 1 -5.609 0.617 0.444 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 -6.072 -0.021 -0.637 0.00 0.00 +0.321 A ATOM 30 N LIG 1 -5.333 -0.422 -1.685 0.00 0.00 -0.202 NA ATOM 31 C LIG 1 -4.015 -0.143 -1.617 0.00 0.00 +0.131 A BRANCH 27 32 ATOM 32 O LIG 1 -3.746 1.529 1.552 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 -4.719 1.924 2.513 0.00 0.00 +0.279 C ENDBRANCH 27 32 BRANCH 29 34 ATOM 34 O LIG 1 -7.428 -0.266 -0.618 0.00 0.00 -0.466 OA ATOM 35 C LIG 1 -7.894 -0.919 -1.790 0.00 0.00 +0.280 C ENDBRANCH 29 34 ENDBRANCH 9 26 BRANCH 1 36 ATOM 36 C LIG 1 -1.340 -0.918 1.239 0.00 0.00 +0.110 C ATOM 37 C LIG 1 -0.692 -0.685 2.606 0.00 0.00 +0.033 C BRANCH 36 38 ATOM 38 C LIG 1 -1.071 -2.318 0.671 0.00 0.00 +0.184 C BRANCH 38 40 ATOM 39 C LIG 1 -1.304 -4.626 1.099 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -1.539 -3.310 1.587 0.00 0.00 -0.381 OA ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 8