REMARK Name = BDB011182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.106 -4.096 1.077 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -3.130 -2.827 0.462 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -4.049 -2.570 -0.494 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -4.137 -1.331 -1.012 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -3.270 -0.318 -0.674 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -2.224 -0.578 0.195 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -1.215 0.443 0.282 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -1.514 1.776 -0.082 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -0.625 2.628 -0.117 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -2.837 2.029 -0.461 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -3.462 1.032 -1.197 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -4.134 1.157 -2.215 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -2.204 -1.834 0.876 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.379 -2.132 1.990 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -1.377 -3.384 2.597 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.226 -4.374 2.128 0.00 0.00 +0.048 A ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 0.218 0.038 0.355 0.00 0.00 +0.095 C ATOM 18 C LIG 1 0.992 0.716 1.494 0.00 0.00 +0.044 C ATOM 19 C LIG 1 2.409 0.160 1.569 0.00 0.00 +0.111 C ATOM 20 N LIG 1 3.109 0.244 0.289 0.00 0.00 -0.286 N ATOM 21 C LIG 1 4.503 0.199 0.360 0.00 0.00 +0.302 C ATOM 22 N LIG 1 5.126 0.302 -0.861 0.00 0.00 -0.297 N ATOM 23 H LIG 1 4.656 0.972 -1.453 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 5.119 0.094 1.416 0.00 0.00 -0.253 OA ATOM 25 C LIG 1 2.392 -0.297 -0.870 0.00 0.00 +0.111 C ATOM 26 C LIG 1 0.967 0.240 -0.975 0.00 0.00 +0.044 C BRANCH 22 27 ATOM 27 C LIG 1 6.582 0.301 -0.957 0.00 0.00 +0.068 C ATOM 28 C LIG 1 7.154 -1.093 -0.693 0.00 0.00 +0.027 C ATOM 29 C LIG 1 7.012 0.781 -2.342 0.00 0.00 +0.027 C ENDBRANCH 22 27 ENDBRANCH 7 17 BRANCH 10 30 ATOM 30 C LIG 1 -3.366 3.387 -0.449 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -4.589 3.721 -1.060 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -5.106 5.022 -1.002 0.00 0.00 +0.043 A ATOM 33 CL LIG 1 -6.600 5.382 -1.780 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -4.436 6.025 -0.316 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -3.248 5.718 0.333 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -2.731 4.416 0.276 0.00 0.00 +0.026 A ENDBRANCH 10 30 BRANCH 1 38 ATOM 37 C LIG 1 -4.039 -6.307 1.166 0.00 0.00 +0.277 C ATOM 38 O LIG 1 -4.010 -5.013 0.583 0.00 0.00 -0.493 OA ENDBRANCH 1 38 TORSDOF 4