REMARK Name = BDB040756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.358 1.681 0.490 0.00 0.00 +0.111 C ATOM 2 C LIG 1 1.318 0.557 0.052 0.00 0.00 +0.129 C ATOM 3 N LIG 1 2.336 1.232 0.809 0.00 0.00 -0.326 N ATOM 4 C LIG 1 1.644 2.489 0.757 0.00 0.00 +0.129 C ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 3.726 1.015 0.758 0.00 0.00 +0.035 A ATOM 6 C LIG 1 4.627 2.013 1.145 0.00 0.00 +0.062 A ATOM 7 C LIG 1 6.003 1.785 1.105 0.00 0.00 +0.132 A ATOM 8 F LIG 1 6.826 2.779 1.471 0.00 0.00 -0.205 F ATOM 9 C LIG 1 6.532 0.565 0.688 0.00 0.00 +0.035 A ATOM 10 C LIG 1 5.627 -0.428 0.313 0.00 0.00 +0.132 A ATOM 11 F LIG 1 6.081 -1.620 -0.100 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.248 -0.217 0.349 0.00 0.00 +0.062 A BRANCH 9 13 ATOM 13 C LIG 1 8.027 0.338 0.658 0.00 0.00 +0.111 C ATOM 14 C LIG 1 8.453 -0.847 1.523 0.00 0.00 +0.227 C ATOM 15 O LIG 1 7.901 -1.148 2.579 0.00 0.00 -0.275 OA ATOM 16 N LIG 1 9.565 -1.540 1.105 0.00 0.00 -0.256 N ATOM 17 H LIG 1 9.854 -2.304 1.701 0.00 0.00 +0.157 HD ATOM 18 C LIG 1 10.418 -1.226 0.079 0.00 0.00 +0.219 C ATOM 19 O LIG 1 11.467 -1.843 -0.087 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 10.039 -0.038 -0.772 0.00 0.00 +0.097 C ATOM 21 C LIG 1 8.534 0.172 -0.778 0.00 0.00 +0.027 C ENDBRANCH 9 13 ENDBRANCH 3 5 BRANCH 1 23 ATOM 22 C LIG 1 -1.553 1.556 -1.146 0.00 0.00 +0.401 C ATOM 23 N LIG 1 -0.514 2.225 -0.566 0.00 0.00 -0.275 N ATOM 24 H LIG 1 -0.395 3.164 -0.925 0.00 0.00 +0.152 HD ATOM 25 O LIG 1 -2.249 2.063 -2.014 0.00 0.00 -0.226 OA BRANCH 22 26 ATOM 26 O LIG 1 -1.707 0.302 -0.654 0.00 0.00 -0.444 OA BRANCH 26 31 ATOM 27 N LIG 1 -6.793 -1.527 -1.228 0.00 0.00 -0.258 N ATOM 28 C LIG 1 -5.568 -2.169 -1.046 0.00 0.00 +0.309 C ATOM 29 N LIG 1 -4.524 -1.392 -0.600 0.00 0.00 -0.278 N ATOM 30 C LIG 1 -3.120 -1.786 -0.574 0.00 0.00 +0.155 C ATOM 31 C LIG 1 -2.795 -0.444 -1.247 0.00 0.00 +0.213 C ATOM 32 C LIG 1 -4.228 0.004 -0.905 0.00 0.00 +0.155 C ATOM 33 O LIG 1 -5.399 -3.360 -1.316 0.00 0.00 -0.252 OA ATOM 34 C LIG 1 -7.834 -2.285 -1.913 0.00 0.00 +0.140 C BRANCH 27 37 ATOM 35 C LIG 1 -6.612 -1.589 1.799 0.00 0.00 +0.045 C ATOM 36 C LIG 1 -7.146 -0.436 0.994 0.00 0.00 -0.029 A ATOM 37 C LIG 1 -7.254 -0.449 -0.413 0.00 0.00 +0.040 A ATOM 38 C LIG 1 -7.857 0.640 -1.066 0.00 0.00 +0.024 A ATOM 39 C LIG 1 -8.299 1.752 -0.351 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -8.151 1.788 1.030 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -7.580 0.704 1.696 0.00 0.00 +0.005 A ENDBRANCH 27 37 ENDBRANCH 26 31 ENDBRANCH 22 26 ENDBRANCH 1 23 TORSDOF 6