REMARK Name = BDB018555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.366 -2.977 0.046 0.00 0.00 -0.002 A ATOM 2 C LIG 1 2.710 -2.432 0.303 0.00 0.00 +0.009 A ATOM 3 C LIG 1 3.722 -3.308 0.467 0.00 0.00 +0.098 A ATOM 4 N LIG 1 3.546 -4.680 0.408 0.00 0.00 -0.318 N ATOM 5 C LIG 1 4.702 -5.538 0.616 0.00 0.00 +0.152 C ATOM 6 C LIG 1 2.305 -5.257 0.175 0.00 0.00 +0.252 A ATOM 7 O LIG 1 2.085 -6.463 0.117 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 1.181 -4.309 -0.017 0.00 0.00 +0.079 A ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -2.077 -0.618 -0.562 0.00 0.00 +0.215 A ATOM 10 N LIG 1 -1.962 -1.294 0.601 0.00 0.00 -0.221 NA ATOM 11 C LIG 1 -0.846 -2.042 0.757 0.00 0.00 +0.123 A ATOM 12 C LIG 1 0.166 -2.154 -0.196 0.00 0.00 +0.001 A ATOM 13 C LIG 1 0.006 -1.445 -1.388 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -1.132 -0.664 -1.575 0.00 0.00 +0.068 A BRANCH 9 15 ATOM 15 O LIG 1 -3.185 0.171 -0.797 0.00 0.00 -0.476 OA BRANCH 15 16 ATOM 16 C LIG 1 -4.093 0.211 0.307 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 -5.250 1.133 -0.074 0.00 0.00 +0.056 C BRANCH 17 18 ATOM 18 C LIG 1 -6.274 1.223 1.062 0.00 0.00 +0.087 C BRANCH 18 20 ATOM 19 C LIG 1 -7.086 3.492 0.673 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -7.442 2.085 0.832 0.00 0.00 -0.308 NA ATOM 21 C LIG 1 -8.277 1.628 -0.275 0.00 0.00 +0.104 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 1 12 BRANCH 2 22 ATOM 22 C LIG 1 2.952 -1.021 0.379 0.00 0.00 +0.022 A ATOM 23 C LIG 1 3.912 -0.320 -0.318 0.00 0.00 +0.123 A ATOM 24 N LIG 1 3.804 1.009 0.052 0.00 0.00 -0.238 N ATOM 25 N LIG 1 2.826 1.167 0.966 0.00 0.00 -0.174 NA ATOM 26 C LIG 1 2.312 -0.047 1.157 0.00 0.00 +0.143 A BRANCH 24 27 ATOM 27 C LIG 1 4.562 2.123 -0.430 0.00 0.00 +0.084 A ATOM 28 C LIG 1 4.449 3.421 0.131 0.00 0.00 +0.095 A ATOM 29 C LIG 1 5.219 4.465 -0.423 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 5.159 6.089 0.183 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 6.082 4.238 -1.499 0.00 0.00 +0.021 A ATOM 32 C LIG 1 6.196 2.965 -2.041 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.444 1.916 -1.513 0.00 0.00 +0.029 A BRANCH 28 34 ATOM 34 C LIG 1 3.618 3.736 1.266 0.00 0.00 +0.103 C ATOM 35 N LIG 1 2.991 4.066 2.187 0.00 0.00 -0.191 NA ENDBRANCH 28 34 ENDBRANCH 24 27 ENDBRANCH 2 22 TORSDOF 9