REMARK Name = BDB034169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.297 0.009 -1.382 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.911 0.038 -2.235 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -2.235 0.391 -1.518 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -2.492 -0.523 -0.392 0.00 0.00 -0.327 N ATOM 5 C LIG 1 -1.315 -1.201 0.179 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.054 -0.320 0.021 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.781 -0.797 0.039 0.00 0.00 +0.031 A ATOM 8 C LIG 1 -4.843 0.085 -0.234 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -6.111 -0.228 0.222 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -7.371 0.500 0.080 0.00 0.00 +0.254 C ATOM 11 N LIG 1 -8.319 -0.239 0.731 0.00 0.00 -0.237 N ATOM 12 C LIG 1 -7.799 -1.393 1.251 0.00 0.00 +0.254 C ATOM 13 O LIG 1 -8.358 -2.289 1.852 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -9.715 0.115 0.794 0.00 0.00 +0.142 C ATOM 15 O LIG 1 -7.490 1.549 -0.524 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -6.372 -1.378 0.935 0.00 0.00 +0.050 A ATOM 17 C LIG 1 -5.376 -2.279 1.231 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -4.083 -1.974 0.777 0.00 0.00 +0.024 A ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 1.050 1.270 -1.469 0.00 0.00 +0.121 C BRANCH 19 29 ATOM 20 C LIG 1 7.082 0.243 0.770 0.00 0.00 +0.019 A ATOM 21 C LIG 1 6.781 -0.801 -0.266 0.00 0.00 +0.252 A ATOM 22 O LIG 1 7.595 -1.668 -0.568 0.00 0.00 -0.268 OA ATOM 23 N LIG 1 5.549 -0.748 -0.865 0.00 0.00 -0.321 N ATOM 24 H LIG 1 5.361 -1.456 -1.562 0.00 0.00 +0.169 HD ATOM 25 C LIG 1 4.581 0.210 -0.544 0.00 0.00 +0.068 A ATOM 26 C LIG 1 4.850 1.172 0.427 0.00 0.00 +0.088 A ATOM 27 N LIG 1 3.974 2.129 0.800 0.00 0.00 -0.253 NA ATOM 28 C LIG 1 2.775 2.120 0.172 0.00 0.00 +0.116 A ATOM 29 C LIG 1 2.405 1.199 -0.809 0.00 0.00 -0.013 A ATOM 30 C LIG 1 3.344 0.225 -1.174 0.00 0.00 +0.034 A ATOM 31 C LIG 1 6.149 1.158 1.090 0.00 0.00 +0.038 A BRANCH 20 33 ATOM 32 C LIG 1 9.533 0.754 0.559 0.00 0.00 +0.009 C ATOM 33 C LIG 1 8.428 0.183 1.437 0.00 0.00 +0.037 C ENDBRANCH 20 33 ENDBRANCH 19 29 ENDBRANCH 1 19 TORSDOF 4