REMARK Name = BDB016865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.840 -0.021 -0.673 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.913 -0.172 0.503 0.00 0.00 +0.161 C ATOM 3 C LIG 1 0.375 -0.263 -0.216 0.00 0.00 +0.077 A ATOM 4 C LIG 1 0.249 -0.060 -1.555 0.00 0.00 +0.150 A ATOM 5 N LIG 1 1.440 -0.128 -2.195 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 2.323 -0.381 -1.236 0.00 0.00 +0.138 A ATOM 7 N LIG 1 1.681 -0.577 -0.008 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -1.139 0.115 -1.907 0.00 0.00 +0.272 C ATOM 9 O LIG 1 -1.561 0.296 -3.037 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 -5.833 -0.817 2.210 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -5.275 -0.426 0.873 0.00 0.00 -0.019 A ATOM 12 C LIG 1 -6.080 -0.082 -0.224 0.00 0.00 +0.116 A ATOM 13 N LIG 1 -7.443 -0.015 -0.349 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 -7.727 0.364 -1.588 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 -6.560 0.525 -2.237 0.00 0.00 -0.247 N ATOM 16 C LIG 1 -6.561 0.939 -3.615 0.00 0.00 +0.175 C ATOM 17 C LIG 1 -5.487 0.264 -1.428 0.00 0.00 +0.091 A ATOM 18 C LIG 1 -4.098 0.299 -1.619 0.00 0.00 +0.053 A ATOM 19 C LIG 1 -3.265 -0.038 -0.539 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -3.872 -0.398 0.680 0.00 0.00 +0.029 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 -0.986 1.031 1.437 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -0.845 2.349 0.963 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -0.920 3.438 1.836 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.137 3.223 3.194 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -1.222 4.561 4.271 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -1.280 1.929 3.686 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -1.206 0.840 2.812 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 3.736 -0.527 -1.374 0.00 0.00 -0.006 C ATOM 29 C LIG 1 4.366 -1.591 -2.247 0.00 0.00 +0.054 C ATOM 30 C LIG 1 5.868 -1.771 -1.983 0.00 0.00 +0.089 C ATOM 31 N LIG 1 6.545 -0.471 -1.944 0.00 0.00 -0.301 NA ATOM 32 C LIG 1 7.993 -0.628 -1.846 0.00 0.00 +0.105 C ATOM 33 C LIG 1 6.033 0.358 -0.848 0.00 0.00 +0.111 C ATOM 34 C LIG 1 4.533 0.363 -0.745 0.00 0.00 -0.005 C ENDBRANCH 6 28 BRANCH 7 35 ATOM 35 C LIG 1 2.315 -1.176 1.186 0.00 0.00 +0.140 C ATOM 36 C LIG 1 2.085 -0.408 2.482 0.00 0.00 +0.187 C ATOM 37 O LIG 1 1.077 -1.366 2.904 0.00 0.00 -0.376 OA ATOM 38 C LIG 1 1.490 -2.276 1.852 0.00 0.00 +0.187 C ENDBRANCH 7 35 TORSDOF 4