REMARK Name = BDB019293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.798 -0.129 -0.134 0.00 0.00 +0.039 A ATOM 2 C LIG 1 3.635 -0.712 0.391 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.414 -0.465 -0.250 0.00 0.00 +0.090 A ATOM 4 N LIG 1 1.156 -0.909 0.073 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.351 -0.400 -0.835 0.00 0.00 +0.116 A ATOM 6 C LIG 1 -1.125 -0.609 -0.941 0.00 0.00 +0.082 C ATOM 7 C LIG 1 -1.906 -0.164 0.305 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -3.337 0.011 -0.267 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -4.253 0.774 0.661 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.298 -0.058 1.069 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -6.283 0.357 1.940 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -6.200 1.668 2.410 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -5.159 2.523 2.011 0.00 0.00 +0.020 A ATOM 14 CL LIG 1 -7.402 2.252 3.497 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 -5.194 -1.301 0.461 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -5.843 -2.065 0.567 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -4.172 2.077 1.126 0.00 0.00 +0.009 A ATOM 18 N LIG 1 -3.102 0.672 -1.582 0.00 0.00 -0.281 NA ATOM 19 C LIG 1 -4.092 -1.361 -0.387 0.00 0.00 +0.243 C ATOM 20 O LIG 1 -3.796 -2.318 -1.088 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -1.798 0.182 -2.087 0.00 0.00 +0.071 C ATOM 22 C LIG 1 -0.988 1.406 -2.550 0.00 0.00 +0.041 C ATOM 23 C LIG 1 0.449 1.021 -2.868 0.00 0.00 +0.125 C ATOM 24 N LIG 1 1.059 0.350 -1.741 0.00 0.00 -0.327 N ATOM 25 C LIG 1 2.383 0.333 -1.391 0.00 0.00 +0.069 A ATOM 26 C LIG 1 3.531 0.909 -1.947 0.00 0.00 +0.029 A ATOM 27 C LIG 1 4.745 0.659 -1.293 0.00 0.00 +0.015 A ENDROOT BRANCH 7 28 ATOM 28 C LIG 1 -1.783 -1.027 1.553 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -1.769 -0.406 2.813 0.00 0.00 +0.145 A ATOM 30 F LIG 1 -1.852 0.933 2.883 0.00 0.00 -0.204 F ATOM 31 C LIG 1 -1.674 -1.149 3.991 0.00 0.00 +0.076 A ATOM 32 CL LIG 1 -1.674 -0.365 5.525 0.00 0.00 -0.081 Cl ATOM 33 C LIG 1 -1.586 -2.537 3.933 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -1.593 -3.174 2.694 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -1.691 -2.427 1.515 0.00 0.00 +0.007 A ENDBRANCH 7 28 BRANCH 1 38 ATOM 36 N LIG 1 7.031 0.606 0.499 0.00 0.00 -0.309 N ATOM 37 H LIG 1 6.725 1.528 0.221 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 6.086 -0.399 0.561 0.00 0.00 +0.244 C ATOM 39 O LIG 1 6.256 -1.452 1.163 0.00 0.00 -0.270 OA BRANCH 36 40 ATOM 40 C LIG 1 8.263 0.525 1.264 0.00 0.00 +0.132 C BRANCH 40 41 ATOM 41 C LIG 1 9.217 -0.572 0.788 0.00 0.00 +0.178 C BRANCH 41 43 ATOM 42 C LIG 1 11.406 -1.403 1.049 0.00 0.00 +0.194 C ATOM 43 O LIG 1 10.495 -0.370 1.401 0.00 0.00 -0.381 OA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 36 40 ENDBRANCH 1 38 BRANCH 18 44 ATOM 44 C LIG 1 -4.152 0.579 -2.597 0.00 0.00 +0.089 C BRANCH 44 45 ATOM 45 C LIG 1 -5.313 1.474 -2.286 0.00 0.00 +0.003 C ATOM 46 C LIG 1 -6.664 0.915 -1.911 0.00 0.00 +0.005 C ATOM 47 C LIG 1 -6.467 1.542 -3.259 0.00 0.00 +0.005 C ENDBRANCH 44 45 ENDBRANCH 18 44 TORSDOF 7