REMARK Name = BDB011785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.334 0.664 -0.672 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.120 0.668 -1.076 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.679 1.768 -1.217 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.787 -0.544 -1.272 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.241 -1.908 -1.212 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.133 -2.307 -1.189 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.435 -3.696 -1.145 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.465 -4.690 -1.086 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.858 -4.324 -1.080 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -2.288 -1.443 -1.304 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -3.495 -1.760 -0.638 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -3.568 -2.584 0.277 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 1.193 -2.969 -1.145 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.062 -0.089 -1.766 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -2.869 2.395 0.217 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -1.780 2.052 -0.547 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.094 2.761 -0.799 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.596 1.554 0.746 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -3.079 3.915 0.395 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -2.599 4.284 1.799 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -4.856 5.606 0.347 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -4.493 4.218 0.123 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -5.089 3.597 0.677 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.233 -0.364 -1.508 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 3.190 -0.445 -0.312 0.00 0.00 +0.020 A ATOM 26 C LIG 1 4.604 -0.485 -0.583 0.00 0.00 -0.010 A ATOM 27 C LIG 1 5.518 -0.570 0.500 0.00 0.00 -0.017 A ATOM 28 C LIG 1 6.906 -0.625 0.272 0.00 0.00 +0.023 A ATOM 29 C LIG 1 7.427 -0.590 -1.024 0.00 0.00 +0.060 A ATOM 30 C LIG 1 6.549 -0.487 -2.100 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.043 -0.588 1.812 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.680 -0.524 2.077 0.00 0.00 +0.046 A ATOM 33 C LIG 1 5.167 -0.436 -1.882 0.00 0.00 +0.010 A ATOM 34 C LIG 1 2.756 -0.467 1.033 0.00 0.00 +0.125 A BRANCH 29 35 ATOM 35 C LIG 1 8.885 -0.660 -1.310 0.00 0.00 +0.339 C ATOM 36 O LIG 1 9.351 -0.599 -2.436 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 9.594 -0.812 -0.164 0.00 0.00 -0.464 OA ATOM 38 C LIG 1 11.002 -0.913 -0.367 0.00 0.00 +0.280 C ENDBRANCH 35 37 ENDBRANCH 29 35 BRANCH 34 39 ATOM 39 O LIG 1 1.420 -0.354 1.317 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 0.942 -1.284 2.291 0.00 0.00 +0.277 C ENDBRANCH 34 39 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 41 ATOM 41 C LIG 1 -4.754 -1.052 -1.141 0.00 0.00 +0.097 C BRANCH 41 42 ATOM 42 C LIG 1 -6.040 -1.581 -0.493 0.00 0.00 +0.017 C BRANCH 42 43 ATOM 43 C LIG 1 -6.273 -1.005 0.908 0.00 0.00 +0.074 C BRANCH 43 44 ATOM 44 C LIG 1 -6.730 0.443 0.894 0.00 0.00 +0.130 C ATOM 45 O LIG 1 -7.179 0.989 -0.113 0.00 0.00 -0.298 OA ATOM 46 C LIG 1 -6.670 1.177 2.208 0.00 0.00 +0.086 C ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 11 41 TORSDOF 12