REMARK Name = BDB001150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.405 0.094 -0.550 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.829 -0.987 -1.181 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.508 -1.458 -0.782 0.00 0.00 +0.099 C ATOM 4 C LIG 1 0.682 -2.809 -1.502 0.00 0.00 +0.013 C ATOM 5 C LIG 1 1.692 -2.582 -2.635 0.00 0.00 +0.007 C ATOM 6 C LIG 1 1.921 -1.081 -2.721 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.725 -3.192 -1.958 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.621 -0.535 -1.325 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -1.434 -1.867 -2.164 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -0.848 0.635 0.413 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 2.807 -0.397 -0.489 0.00 0.00 -0.307 N ATOM 12 H LIG 1 3.211 0.538 -0.425 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 3.493 -1.384 0.169 0.00 0.00 +0.246 C ATOM 14 O LIG 1 3.155 -2.564 0.149 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 4.699 -0.974 0.967 0.00 0.00 +0.063 A ATOM 16 C LIG 1 5.257 0.317 0.901 0.00 0.00 +0.083 A ATOM 17 C LIG 1 6.402 0.572 1.697 0.00 0.00 +0.001 A ATOM 18 C LIG 1 6.990 1.844 1.649 0.00 0.00 +0.011 A ATOM 19 C LIG 1 6.449 2.834 0.843 0.00 0.00 +0.020 A ATOM 20 C LIG 1 5.331 2.519 0.105 0.00 0.00 +0.111 A ATOM 21 C LIG 1 6.951 -0.425 2.522 0.00 0.00 +0.010 A ATOM 22 C LIG 1 6.380 -1.690 2.576 0.00 0.00 +0.001 A ATOM 23 N LIG 1 4.742 1.302 0.115 0.00 0.00 -0.254 NA ATOM 24 C LIG 1 5.261 -1.965 1.800 0.00 0.00 +0.015 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 25 ATOM 25 C LIG 1 -2.774 0.617 -1.056 0.00 0.00 +0.164 C BRANCH 25 27 ATOM 26 C LIG 1 -4.380 -0.507 0.453 0.00 0.00 +0.230 C ATOM 27 N LIG 1 -3.643 0.612 0.120 0.00 0.00 -0.302 N ATOM 28 H LIG 1 -3.299 1.113 0.939 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -4.583 -1.447 -0.305 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 -4.956 -0.460 1.884 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -6.177 0.459 1.892 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 -4.251 -0.159 4.203 0.00 0.00 +0.101 C ATOM 33 N LIG 1 -3.889 0.015 2.801 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 -3.046 -0.541 2.627 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 -2.686 2.026 -1.719 0.00 0.00 -0.011 C ATOM 36 C LIG 1 -2.246 3.137 -0.745 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -1.694 1.993 -2.899 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -4.077 2.401 -2.279 0.00 0.00 +0.013 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 7