REMARK Name = BDB054684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.539 2.537 -0.696 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.303 1.515 -0.281 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -2.614 1.668 -0.531 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -3.189 2.752 -1.160 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -4.574 2.501 -1.222 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.830 1.268 -0.636 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -2.327 3.763 -1.557 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -3.616 0.765 -0.197 0.00 0.00 -0.322 N ATOM 9 N LIG 1 -1.001 3.643 -1.319 0.00 0.00 -0.222 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -6.288 0.698 -0.569 0.00 0.00 +0.036 A ATOM 11 C LIG 1 -6.750 -0.489 -0.058 0.00 0.00 +0.118 A ATOM 12 N LIG 1 -8.104 -0.498 -0.251 0.00 0.00 -0.274 N ATOM 13 C LIG 1 -9.029 -1.540 0.124 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -8.565 0.606 -0.860 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -7.460 1.331 -1.053 0.00 0.00 +0.144 A ENDBRANCH 6 10 BRANCH 8 16 ATOM 16 C LIG 1 -3.297 -0.461 0.506 0.00 0.00 +0.089 C ATOM 17 C LIG 1 -3.511 -1.758 -0.269 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -3.432 -2.813 0.826 0.00 0.00 +0.002 C ATOM 19 C LIG 1 -4.109 -2.178 2.037 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -3.948 -0.663 1.879 0.00 0.00 +0.025 C ENDBRANCH 8 16 BRANCH 1 21 ATOM 21 N LIG 1 0.848 2.531 -0.510 0.00 0.00 -0.282 N ATOM 22 H LIG 1 1.194 3.401 -0.895 0.00 0.00 +0.155 HD BRANCH 21 27 ATOM 23 C LIG 1 3.631 0.694 0.765 0.00 0.00 +0.106 A ATOM 24 N LIG 1 2.560 -0.118 1.089 0.00 0.00 -0.344 N ATOM 25 C LIG 1 2.643 -1.386 1.783 0.00 0.00 +0.149 C ATOM 26 C LIG 1 1.390 0.435 0.635 0.00 0.00 +0.109 A ATOM 27 C LIG 1 1.685 1.641 0.052 0.00 0.00 +0.052 A ATOM 28 C LIG 1 3.085 1.815 0.148 0.00 0.00 +0.055 A BRANCH 23 34 ATOM 29 C LIG 1 8.434 -1.920 -1.752 0.00 0.00 +0.105 C ATOM 30 N LIG 1 7.898 -0.640 -1.294 0.00 0.00 -0.302 NA ATOM 31 C LIG 1 8.004 -0.528 0.180 0.00 0.00 +0.103 C ATOM 32 C LIG 1 7.394 0.792 0.692 0.00 0.00 +0.123 C ATOM 33 N LIG 1 6.003 0.932 0.257 0.00 0.00 -0.294 N ATOM 34 C LIG 1 5.017 0.412 1.103 0.00 0.00 +0.263 C ATOM 35 O LIG 1 5.315 -0.236 2.106 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 5.870 0.838 -1.202 0.00 0.00 +0.123 C ATOM 37 C LIG 1 6.490 -0.480 -1.720 0.00 0.00 +0.103 C ENDBRANCH 23 34 ENDBRANCH 21 27 ENDBRANCH 1 21 TORSDOF 5