REMARK Name = LIG000608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.944 0.229 3.624 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.155 1.051 3.076 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.289 0.464 4.821 0.00 0.00 +0.234 C ATOM 4 O LIG 1 0.204 -0.385 5.559 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 -2.597 -0.574 -0.379 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -2.614 -1.947 -0.220 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -3.079 -2.792 -0.955 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.003 -2.236 1.079 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -1.725 -1.026 1.718 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.185 -1.012 3.002 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -0.928 -2.251 3.606 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -1.211 -3.464 2.941 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -1.761 -3.464 1.657 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.137 0.097 0.830 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 -6.383 -1.682 -3.563 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -5.448 -1.204 -2.923 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -5.688 -0.559 -1.739 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -6.658 -0.525 -1.457 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -4.826 0.203 -0.999 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -5.231 0.838 -0.025 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -3.350 0.171 -1.385 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -3.118 -0.208 -2.847 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -4.019 -1.306 -3.390 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 -0.170 1.965 5.153 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.050 2.560 4.572 0.00 0.00 -0.320 N ATOM 26 H LIG 1 1.804 1.873 4.687 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 0.962 2.742 3.188 0.00 0.00 +0.124 A ATOM 28 N LIG 1 1.595 1.841 2.431 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 1.486 1.949 1.103 0.00 0.00 +0.217 A ATOM 30 N LIG 1 0.754 2.889 0.495 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 0.154 3.795 1.284 0.00 0.00 +0.118 A ATOM 32 C LIG 1 0.213 3.762 2.652 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 2.158 0.983 0.382 0.00 0.00 -0.313 N ATOM 34 H LIG 1 2.334 0.214 1.021 0.00 0.00 +0.149 HD BRANCH 33 35 ATOM 35 C LIG 1 1.643 0.617 -0.926 0.00 0.00 +0.106 C BRANCH 35 36 ATOM 36 C LIG 1 2.254 1.470 -2.036 0.00 0.00 +0.038 C BRANCH 36 37 ATOM 37 C LIG 1 3.767 1.308 -2.168 0.00 0.00 +0.109 C BRANCH 37 38 ATOM 38 N LIG 1 4.163 -0.049 -2.506 0.00 0.00 -0.301 N ATOM 39 C LIG 1 4.130 -0.566 -3.792 0.00 0.00 +0.216 C ATOM 40 O LIG 1 3.651 -0.037 -4.781 0.00 0.00 -0.276 OA ATOM 41 C LIG 1 4.850 -1.894 -3.770 0.00 0.00 +0.097 C ATOM 42 C LIG 1 4.938 -2.218 -2.284 0.00 0.00 +0.028 C ATOM 43 C LIG 1 4.968 -0.853 -1.624 0.00 0.00 +0.108 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 10