REMARK Name = BDB011500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.074 0.025 -1.199 0.00 0.00 +0.197 C ATOM 2 C LIG 1 0.557 0.178 -0.989 0.00 0.00 +0.244 C ATOM 3 O LIG 1 0.115 1.251 -0.559 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.258 -0.880 -1.389 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.297 -2.098 -1.890 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.401 -2.697 -1.261 0.00 0.00 +0.142 A ATOM 7 C LIG 1 1.949 -3.889 -1.737 0.00 0.00 +0.047 A ATOM 8 C LIG 1 1.422 -4.482 -2.881 0.00 0.00 +0.004 A ATOM 9 C LIG 1 0.337 -3.896 -3.528 0.00 0.00 +0.002 A ATOM 10 O LIG 1 1.886 -2.216 -0.076 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -0.228 -2.716 -3.032 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.653 -1.021 -0.246 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.970 1.629 -1.404 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.689 1.343 -1.004 0.00 0.00 -0.300 N ATOM 15 H LIG 1 2.089 2.055 -0.597 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 4.702 0.762 -1.881 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.442 3.083 -1.134 0.00 0.00 +0.137 C ATOM 18 C LIG 1 3.457 4.135 -1.643 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 5.909 3.443 -3.088 0.00 0.00 +0.101 C ATOM 20 N LIG 1 5.823 3.283 -1.640 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 6.350 2.439 -1.394 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.722 -0.743 -1.279 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.278 -1.173 0.079 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.602 -0.227 1.111 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -3.060 -0.708 2.363 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.381 0.183 3.405 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -3.287 1.573 3.264 0.00 0.00 -0.044 A ATOM 28 C LIG 1 -2.844 2.050 2.031 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -3.208 -2.081 2.574 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -2.932 -2.995 1.564 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.518 1.178 0.983 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.469 -2.554 0.324 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -3.620 2.508 4.401 0.00 0.00 +0.019 C ATOM 34 C LIG 1 -4.973 2.436 5.071 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -4.636 3.609 4.203 0.00 0.00 +0.009 C ENDBRANCH 27 33 BRANCH 32 36 ATOM 36 O LIG 1 -2.250 -3.411 -0.726 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 -1.906 -4.751 -0.388 0.00 0.00 +0.277 C ENDBRANCH 32 36 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7