REMARK Name = BDB045396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.705 -0.123 -3.479 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -1.617 -1.164 -2.772 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -2.078 -2.279 -3.744 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -2.350 -1.778 -5.091 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -2.732 -2.513 -5.684 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -1.180 -1.172 -5.725 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -0.087 -0.729 -4.747 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.070 1.557 -0.566 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.503 0.561 -1.451 0.00 0.00 +0.007 A ATOM 10 C LIG 1 1.631 0.012 -2.397 0.00 0.00 +0.004 A ATOM 11 C LIG 1 0.306 0.458 -2.494 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -0.119 1.462 -1.608 0.00 0.00 +0.004 A ATOM 13 C LIG 1 0.749 2.004 -0.655 0.00 0.00 +0.007 A BRANCH 8 14 ATOM 14 C LIG 1 3.016 2.156 0.443 0.00 0.00 +0.268 C BRANCH 14 15 ATOM 15 O LIG 1 3.670 1.112 1.181 0.00 0.00 -0.456 OA BRANCH 15 17 ATOM 16 O LIG 1 2.298 1.487 2.989 0.00 0.00 -0.245 OA ATOM 17 C LIG 1 3.190 0.873 2.424 0.00 0.00 +0.339 C BRANCH 17 18 ATOM 18 C LIG 1 3.906 -0.277 3.045 0.00 0.00 +0.059 A ATOM 19 C LIG 1 3.539 -0.661 4.342 0.00 0.00 +0.015 A ATOM 20 C LIG 1 4.178 -1.735 4.967 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.185 -2.431 4.299 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.556 -2.057 3.008 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.919 -0.983 2.380 0.00 0.00 +0.015 A ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 24 ATOM 24 O LIG 1 -2.742 -0.455 -2.224 0.00 0.00 -0.370 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.435 -1.161 -1.200 0.00 0.00 +0.195 C BRANCH 25 26 ATOM 26 C LIG 1 -3.489 -0.283 0.023 0.00 0.00 -0.021 A ATOM 27 C LIG 1 -2.329 -0.063 0.781 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -2.339 0.785 1.901 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -3.544 1.419 2.279 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -3.549 2.272 3.396 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -2.380 2.500 4.125 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -1.193 1.878 3.747 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.704 1.190 1.522 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -1.173 1.025 2.643 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -4.675 0.352 0.403 0.00 0.00 +0.006 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 8