REMARK Name = BDB010610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.449 -0.131 0.072 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.328 1.218 -0.184 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -1.092 1.809 0.808 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.183 3.134 1.002 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -0.464 3.840 0.120 0.00 0.00 +0.220 A ATOM 6 N LIG 1 0.286 3.361 -0.898 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -1.752 0.879 1.551 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 0.351 2.023 -1.086 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -1.461 -0.281 1.003 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -0.506 5.309 0.275 0.00 0.00 +0.287 A ATOM 11 O LIG 1 0.222 6.017 -0.630 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 0.017 7.312 -0.274 0.00 0.00 +0.436 A ATOM 13 O LIG 1 0.490 8.288 -0.828 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -0.811 7.288 0.812 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -1.149 8.099 1.312 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -1.143 6.018 1.161 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 1.102 1.557 -2.245 0.00 0.00 +0.004 A ATOM 18 C LIG 1 2.469 1.850 -2.375 0.00 0.00 +0.030 A ATOM 19 C LIG 1 3.189 1.395 -3.480 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 4.871 1.735 -3.601 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 2.559 0.659 -4.481 0.00 0.00 +0.020 A ATOM 22 C LIG 1 1.198 0.381 -4.380 0.00 0.00 +0.002 A ATOM 23 C LIG 1 0.475 0.831 -3.273 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 -2.035 -1.485 1.303 0.00 0.00 -0.288 N ATOM 25 C LIG 1 -2.755 -2.179 0.176 0.00 0.00 +0.150 C ATOM 26 C LIG 1 -3.401 -3.505 0.650 0.00 0.00 +0.188 C ATOM 27 O LIG 1 -4.160 -3.380 1.863 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 -3.329 -2.866 2.912 0.00 0.00 +0.179 C ATOM 29 C LIG 1 -2.814 -1.467 2.566 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 -3.713 -1.278 -0.606 0.00 0.00 +0.064 A ATOM 31 N LIG 1 -3.247 -0.801 -1.799 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 -4.056 0.022 -2.502 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -5.321 0.398 -2.090 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -5.789 -0.098 -0.881 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -4.979 -0.945 -0.127 0.00 0.00 +0.025 A ENDBRANCH 25 30 ENDBRANCH 9 24 BRANCH 1 36 ATOM 36 C LIG 1 0.423 -1.186 -0.413 0.00 0.00 +0.128 C BRANCH 36 41 ATOM 37 C LIG 1 5.814 -2.133 1.670 0.00 0.00 +0.007 C ATOM 38 C LIG 1 4.359 -2.247 1.220 0.00 0.00 -0.014 C ATOM 39 C LIG 1 4.232 -1.956 -0.280 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.778 -2.017 -0.743 0.00 0.00 +0.005 C ATOM 41 C LIG 1 1.883 -1.066 0.066 0.00 0.00 +0.009 C ATOM 42 C LIG 1 2.011 -1.360 1.570 0.00 0.00 +0.005 C ATOM 43 C LIG 1 3.465 -1.305 2.035 0.00 0.00 +0.003 C ENDBRANCH 36 41 ENDBRANCH 1 36 TORSDOF 6