REMARK Name = BDB013304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.680 1.053 0.581 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -0.371 0.042 0.300 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.172 0.423 -0.992 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.415 1.951 -1.080 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -1.157 2.665 0.255 0.00 0.00 +0.086 C ATOM 6 C LIG 1 0.295 2.397 0.645 0.00 0.00 +0.220 C ATOM 7 O LIG 1 1.055 3.299 0.985 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 0.017 -1.431 0.392 0.00 0.00 -0.026 A ATOM 9 C LIG 1 0.520 -2.156 -0.700 0.00 0.00 +0.007 A ATOM 10 C LIG 1 0.840 -3.512 -0.579 0.00 0.00 +0.020 A ATOM 11 C LIG 1 0.651 -4.164 0.635 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 1.050 -5.830 0.783 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 0.140 -3.473 1.728 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.179 -2.118 1.606 0.00 0.00 +0.007 A ENDBRANCH 2 8 BRANCH 3 15 ATOM 15 C LIG 1 -2.489 -0.340 -1.114 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -2.681 -1.220 -2.192 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -3.870 -1.939 -2.316 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -4.082 -3.017 -3.640 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -4.887 -1.791 -1.377 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -4.713 -0.916 -0.306 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.523 -0.196 -0.174 0.00 0.00 +0.004 A ENDBRANCH 3 15 BRANCH 1 22 ATOM 22 C LIG 1 2.138 0.773 0.644 0.00 0.00 +0.164 C BRANCH 22 23 ATOM 23 C LIG 1 2.642 0.257 -0.670 0.00 0.00 +0.237 A ATOM 24 O LIG 1 3.728 -0.583 -0.666 0.00 0.00 -0.423 OA ATOM 25 C LIG 1 3.891 -0.833 -2.001 0.00 0.00 +0.214 A ATOM 26 C LIG 1 4.991 -1.732 -2.387 0.00 0.00 +0.111 C ATOM 27 N LIG 1 3.003 -0.217 -2.751 0.00 0.00 -0.113 NA ATOM 28 N LIG 1 2.202 0.503 -1.890 0.00 0.00 -0.110 NA ENDBRANCH 22 23 BRANCH 22 30 ATOM 29 C LIG 1 2.072 0.507 3.184 0.00 0.00 +0.006 C ATOM 30 C LIG 1 2.588 -0.048 1.864 0.00 0.00 +0.029 C ENDBRANCH 22 30 ENDBRANCH 1 22 BRANCH 5 31 ATOM 31 C LIG 1 -1.422 4.170 0.116 0.00 0.00 +0.133 C BRANCH 31 32 ATOM 32 C LIG 1 -1.378 4.927 1.418 0.00 0.00 +0.305 C ATOM 33 O LIG 1 -1.172 6.124 1.534 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -1.692 4.191 2.500 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -1.606 4.834 3.236 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8