REMARK Name = BDB015737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.906 -1.671 -0.979 0.00 0.00 +0.326 A ATOM 2 N LIG 1 -2.268 -0.650 -0.186 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 -1.305 0.231 0.137 0.00 0.00 +0.081 A ATOM 4 C LIG 1 -0.015 0.110 -0.342 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.253 -0.971 -1.156 0.00 0.00 +0.126 A ATOM 6 N LIG 1 -0.685 -1.859 -1.497 0.00 0.00 -0.180 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.702 1.357 1.024 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.974 1.802 0.974 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -3.430 2.848 1.764 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -4.819 3.259 1.630 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -2.609 3.512 2.669 0.00 0.00 +0.251 A ATOM 12 O LIG 1 -2.951 4.449 3.384 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -1.213 3.011 2.753 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -0.806 1.998 1.977 0.00 0.00 +0.017 A ENDBRANCH 3 7 BRANCH 5 15 ATOM 15 N LIG 1 1.513 -1.186 -1.717 0.00 0.00 -0.328 N ATOM 16 H LIG 1 1.406 -2.047 -2.256 0.00 0.00 +0.147 HD BRANCH 15 17 ATOM 17 C LIG 1 2.632 -1.282 -0.772 0.00 0.00 +0.111 C BRANCH 17 18 ATOM 18 C LIG 1 3.592 -0.079 -0.913 0.00 0.00 +0.036 C ATOM 19 C LIG 1 4.731 -0.026 0.100 0.00 0.00 -0.040 A ATOM 20 C LIG 1 5.715 0.967 -0.101 0.00 0.00 -0.044 A ATOM 21 C LIG 1 6.767 1.118 0.809 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.861 0.274 1.913 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.902 -0.715 2.114 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.584 1.877 -1.293 0.00 0.00 +0.035 C ATOM 25 C LIG 1 5.244 1.077 -2.548 0.00 0.00 +0.005 C ATOM 26 C LIG 1 4.840 -0.864 1.217 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.185 -0.018 -2.339 0.00 0.00 +0.010 C ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 5 15 BRANCH 1 28 ATOM 28 O LIG 1 -2.861 -2.597 -1.385 0.00 0.00 -0.420 OA BRANCH 28 31 ATOM 29 C LIG 1 -5.245 -1.706 -2.665 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -5.223 -2.218 -1.254 0.00 0.00 -0.005 A ATOM 31 C LIG 1 -4.023 -2.623 -0.651 0.00 0.00 +0.170 A ATOM 32 C LIG 1 -4.021 -3.113 0.657 0.00 0.00 +0.166 A ATOM 33 F LIG 1 -2.881 -3.545 1.218 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -5.197 -3.170 1.395 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.392 -2.744 0.817 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -6.406 -2.273 -0.500 0.00 0.00 +0.007 A ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 6