REMARK Name = BDB014768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.097 1.390 -0.403 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.267 2.372 -0.579 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -7.353 4.129 0.603 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -5.890 3.960 0.285 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -5.398 2.663 0.204 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.984 2.540 -0.201 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -3.467 1.175 0.078 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -2.156 0.636 -0.017 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -2.160 -0.658 0.323 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -3.438 -0.944 0.635 0.00 0.00 -0.266 N ATOM 11 C LIG 1 -4.261 0.128 0.493 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -5.717 0.219 0.744 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -6.263 1.474 0.029 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -5.175 4.949 0.118 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -3.776 -2.288 1.087 0.00 0.00 +0.147 C BRANCH 15 16 ATOM 16 C LIG 1 -3.956 -3.236 -0.062 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -5.319 -3.518 -0.645 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -4.616 -4.574 0.161 0.00 0.00 +0.005 C ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 19 ATOM 19 C LIG 1 0.267 1.071 -0.588 0.00 0.00 +0.032 A ATOM 20 C LIG 1 1.153 2.095 -0.957 0.00 0.00 +0.024 A ATOM 21 C LIG 1 2.518 1.845 -1.157 0.00 0.00 +0.010 A ATOM 22 C LIG 1 3.048 0.558 -0.995 0.00 0.00 -0.018 A ATOM 23 C LIG 1 2.163 -0.464 -0.626 0.00 0.00 +0.010 A ATOM 24 C LIG 1 0.798 -0.210 -0.428 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 4.481 0.291 -1.203 0.00 0.00 -0.018 A ATOM 26 C LIG 1 5.246 -0.366 -0.223 0.00 0.00 +0.015 A ATOM 27 C LIG 1 6.622 -0.639 -0.393 0.00 0.00 -0.016 A ATOM 28 C LIG 1 7.226 -0.221 -1.587 0.00 0.00 +0.006 A ATOM 29 C LIG 1 6.485 0.432 -2.573 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.126 0.684 -2.383 0.00 0.00 +0.008 A BRANCH 27 31 ATOM 31 C LIG 1 7.387 -1.352 0.721 0.00 0.00 +0.085 C ATOM 32 C LIG 1 7.559 -0.427 1.931 0.00 0.00 +0.046 C ATOM 33 C LIG 1 8.757 -1.907 0.310 0.00 0.00 +0.046 C BRANCH 31 34 ATOM 34 O LIG 1 6.621 -2.487 1.151 0.00 0.00 -0.385 OA ATOM 35 H LIG 1 6.207 -2.868 0.357 0.00 0.00 +0.211 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 22 25 ENDBRANCH 1 19 TORSDOF 7