REMARK Name = BDB001510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.610 2.937 1.492 0.00 0.00 -0.297 N ATOM 2 H LIG 1 -0.544 3.582 2.275 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.962 2.558 1.286 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -2.938 3.526 1.448 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -2.640 4.775 1.832 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -4.232 3.146 1.214 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -4.577 1.899 0.842 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -3.585 1.006 0.701 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -2.289 1.305 0.906 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 -3.826 -0.313 0.331 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -2.951 -0.816 0.327 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 -4.977 -1.050 0.033 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -4.837 -2.415 -0.272 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -5.945 -3.208 -0.584 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -7.210 -2.643 -0.597 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -7.383 -1.297 -0.303 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -6.267 -0.509 0.009 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 -8.266 -3.447 -0.905 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -9.078 -2.916 -0.869 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 3.039 0.895 0.819 0.00 0.00 +0.037 A ATOM 21 C LIG 1 2.955 1.930 1.753 0.00 0.00 +0.015 A ATOM 22 C LIG 1 1.739 2.589 1.964 0.00 0.00 +0.024 A ATOM 23 C LIG 1 0.577 2.211 1.273 0.00 0.00 +0.032 A ATOM 24 C LIG 1 0.680 1.178 0.334 0.00 0.00 +0.024 A ATOM 25 C LIG 1 1.893 0.512 0.115 0.00 0.00 +0.015 A BRANCH 20 27 ATOM 26 O LIG 1 5.093 0.097 1.586 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 4.352 0.218 0.619 0.00 0.00 +0.248 C ATOM 28 N LIG 1 4.612 -0.173 -0.682 0.00 0.00 -0.282 N ATOM 29 H LIG 1 3.955 0.126 -1.390 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 5.747 -0.864 -1.156 0.00 0.00 +0.034 A ATOM 31 C LIG 1 5.834 -1.077 -2.540 0.00 0.00 +0.026 A ATOM 32 C LIG 1 6.924 -1.758 -3.088 0.00 0.00 +0.040 A ATOM 33 C LIG 1 7.926 -2.230 -2.252 0.00 0.00 +0.124 A ATOM 34 F LIG 1 8.971 -2.884 -2.775 0.00 0.00 -0.205 F ATOM 35 C LIG 1 7.856 -2.034 -0.879 0.00 0.00 +0.040 A ATOM 36 C LIG 1 6.765 -1.352 -0.331 0.00 0.00 +0.026 A ENDBRANCH 28 30 ENDBRANCH 20 27 ENDBRANCH 1 23 TORSDOF 7