REMARK Name = BDB017573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.659 2.343 0.262 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.990 1.631 0.144 0.00 0.00 -0.031 A ATOM 3 C LIG 1 -2.707 1.271 1.285 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -3.936 0.613 1.169 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.486 0.262 -0.082 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -5.755 -0.530 -0.058 0.00 0.00 +0.045 A ATOM 7 N LIG 1 -6.197 -1.166 -1.219 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -5.418 -1.481 -1.791 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -7.276 -2.147 -1.181 0.00 0.00 +0.102 C ATOM 10 C LIG 1 -8.350 -1.685 -0.207 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -7.740 -1.430 1.173 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -6.434 -0.682 1.098 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -5.888 -0.188 2.386 0.00 0.00 +0.254 A ATOM 14 O LIG 1 -6.503 -0.304 3.442 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.804 0.714 -1.240 0.00 0.00 -0.039 A ATOM 16 C LIG 1 -4.334 0.576 -2.644 0.00 0.00 +0.044 C ATOM 17 N LIG 1 -4.641 0.357 2.350 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -4.273 0.663 3.240 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -2.554 1.362 -1.107 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 N LIG 1 3.131 0.759 0.312 0.00 0.00 -0.327 N ATOM 21 C LIG 1 2.732 2.178 0.351 0.00 0.00 +0.120 C ATOM 22 C LIG 1 1.540 2.401 1.312 0.00 0.00 +0.103 C ATOM 23 N LIG 1 0.334 1.589 1.042 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 0.691 0.313 0.376 0.00 0.00 +0.103 C ATOM 25 C LIG 1 2.103 -0.215 0.720 0.00 0.00 +0.120 C BRANCH 20 30 ATOM 26 C LIG 1 7.132 -0.386 -0.524 0.00 0.00 +0.072 A ATOM 27 C LIG 1 6.270 -1.232 0.167 0.00 0.00 +0.137 A ATOM 28 F LIG 1 6.676 -2.441 0.590 0.00 0.00 -0.205 F ATOM 29 C LIG 1 4.951 -0.857 0.443 0.00 0.00 +0.062 A ATOM 30 C LIG 1 4.435 0.384 0.044 0.00 0.00 +0.033 A ATOM 31 C LIG 1 5.316 1.226 -0.656 0.00 0.00 +0.024 A ATOM 32 C LIG 1 6.639 0.854 -0.938 0.00 0.00 +0.018 A BRANCH 26 36 ATOM 33 C LIG 1 10.350 -2.397 -0.708 0.00 0.00 +0.128 C ATOM 34 N LIG 1 9.026 -1.937 -0.377 0.00 0.00 -0.314 N ATOM 35 H LIG 1 8.392 -2.582 0.082 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 8.544 -0.735 -0.846 0.00 0.00 +0.247 C ATOM 37 O LIG 1 9.227 0.040 -1.509 0.00 0.00 -0.270 OA ENDBRANCH 26 36 ENDBRANCH 20 30 ENDBRANCH 1 23 TORSDOF 4