REMARK Name = BDB041035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.335 0.091 0.634 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -0.602 0.740 -0.573 0.00 0.00 +0.171 C ATOM 3 C LIG 1 -1.073 2.169 -0.962 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -0.709 2.690 -2.023 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -1.761 2.937 -0.056 0.00 0.00 -0.269 N ATOM 6 H LIG 1 -1.958 3.895 -0.317 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 -2.127 2.410 1.151 0.00 0.00 +0.127 A ATOM 8 N LIG 1 -2.738 3.044 2.193 0.00 0.00 -0.253 N ATOM 9 C LIG 1 -3.143 4.425 2.285 0.00 0.00 +0.174 C ATOM 10 N LIG 1 -2.930 2.231 3.251 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 -2.455 1.042 2.851 0.00 0.00 +0.066 A ATOM 12 C LIG 1 -2.518 -0.134 3.754 0.00 0.00 +0.068 C ATOM 13 C LIG 1 -1.950 1.107 1.529 0.00 0.00 +0.025 A ENDROOT BRANCH 1 18 ATOM 14 C LIG 1 -4.520 -2.626 -0.589 0.00 0.00 +0.155 A ATOM 15 C LIG 1 -3.384 -3.079 0.087 0.00 0.00 +0.165 A ATOM 16 F LIG 1 -3.247 -4.383 0.376 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -2.371 -2.204 0.476 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -2.471 -0.831 0.204 0.00 0.00 -0.035 A ATOM 19 C LIG 1 -3.608 -0.378 -0.488 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -4.623 -1.265 -0.877 0.00 0.00 +0.049 A BRANCH 14 22 ATOM 21 C LIG 1 -6.612 -3.153 -1.596 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -5.442 -3.583 -0.914 0.00 0.00 -0.492 OA ENDBRANCH 14 22 ENDBRANCH 1 18 BRANCH 2 23 ATOM 23 N LIG 1 0.859 0.851 -0.390 0.00 0.00 -0.299 N ATOM 24 H LIG 1 1.291 1.667 -0.811 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 1.638 -0.285 -0.307 0.00 0.00 +0.245 C ATOM 26 O LIG 1 1.167 -1.413 -0.230 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 3.113 -0.085 -0.351 0.00 0.00 +0.040 A ATOM 28 C LIG 1 3.913 -1.143 -0.802 0.00 0.00 +0.062 A ATOM 29 C LIG 1 5.304 -1.005 -0.860 0.00 0.00 +0.162 A ATOM 30 C LIG 1 5.902 0.207 -0.456 0.00 0.00 +0.162 A ATOM 31 C LIG 1 5.098 1.254 0.010 0.00 0.00 +0.050 A ATOM 32 C LIG 1 3.709 1.109 0.066 0.00 0.00 +0.017 A BRANCH 29 33 ATOM 33 O LIG 1 6.161 -1.984 -1.297 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 5.602 -3.244 -1.644 0.00 0.00 +0.277 C ENDBRANCH 29 33 BRANCH 30 35 ATOM 35 O LIG 1 7.271 0.262 -0.546 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 7.913 1.465 -0.149 0.00 0.00 +0.277 C ENDBRANCH 30 35 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 6